Geometry & MOs

Info

ID:	393306
PubChem CID:	135020058
Reduced:	O6N7H29C34 (1)
Stoich.:	A6B7C29D34 (1)
Weight, g/mol:	789.03691
ΔH_f, kcal/mol:	16.63
Dipole, Da:	7.29
IP(EA), eV:	-8.7(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-5'-bromo-5-[(2Z)-2-[5-bromo-1-[(4-methoxyphenyl)methyl]-2-oxoindol-3-ylidene]hydrazinyl]-1'-[(4-methoxyphenyl)methyl]-4-nitrospiro[1,2-dihydropyrazole-3,3'-indole]-2'-one

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=N/NC4=C([C@@]5(C6=CC=CC=C6N(C5=O)CC7=CC=C(C=C7)OC)NN4)[N+](=O)[O-])/C2=O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

COC1=CC=C(C=C1)CN2C3=CC=CC=C3/C(=N/NC4=C([C@@]5(C6=CC=CC=C6N(C5=O)CC7=CC=C(C=C7)OC)NN4)[N+](=O)[O-])/C2=O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):