Geometry & MOs

Info

ID:	427281
PubChem CID:	135156653
Reduced:	N2O8C31H34 (1)
Stoich.:	A2B8C31D34 (1)
Weight, g/mol:	568.184566
ΔH_f, kcal/mol:	-280.66
Dipole, Da:	10.01
IP(EA), eV:	-9.4(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[[4-[[3-(2-carboxyprop-2-enyl)-3-hydroxy-2-oxoindol-1-yl]methyl]phenyl]methyl]-3-hydroxy-2-oxoindol-3-yl]methyl]prop-2-enoic acid

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

C=C(CC1(C2=CC=CC=C2N(C1=O)CCCCCCCN3C4=CC=CC=C4C(C3=O)(CC(=C)C(=O)O)O)O)C(=O)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

C=C(CC1(C2=CC=CC=C2N(C1=O)CCCCCCCN3C4=CC=CC=C4C(C3=O)(CC(=C)C(=O)O)O)O)C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):