Geometry & MOs

Info

ID:	396373
PubChem CID:	135028225
Reduced:	NOC10H10 (2)
Stoich.:	ABC10D10 (2)
Weight, g/mol:	854.217917
ΔH_f, kcal/mol:	39.37
Dipole, Da:	7.08
IP(EA), eV:	-9.28(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[(1R,2S,3S)-2-(1,3-dimethoxy-1,3-dioxopropan-2-yl)-4-(4-methylphenyl)sulfonyl-3-[1-(4-methylphenyl)sulfonylindol-3-yl]-2,3-dihydro-1H-cyclopenta[b]indol-1-yl]methyl]propanedioate

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

CC(C)(C)C1=CC=C(C=C1)CC2=NC3=C(C=CC(=C3)[N+](=O)[O-])C=C2

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

CC(C)(C)C1=CC=C(C=C1)CC2=NC3=C(C=CC(=C3)[N+](=O)[O-])C=C2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):