Geometry & MOs

Info

ID:	236584
PubChem CID:	92714085
Reduced:	SO3N4H16C19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	384.06924
ΔH_f, kcal/mol:	44.54
Dipole, Da:	8.16
IP(EA), eV:	-9.14(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(2-fluoro-5-nitroanilino)-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CS4

DOS

IR

Vibrations