Geometry & MOs

Info

ID:	236674
PubChem CID:	92714400
Reduced:	FO3N4H15C20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	390.132805
ΔH_f, kcal/mol:	6.33
Dipole, Da:	4.01
IP(EA), eV:	-9.28(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-6-benzyl-7-(2-methoxy-5-nitroanilino)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2[C@@H](C3=C(C2=O)C=CC=N3)NC4=C(C=CC(=C4)[N+](=O)[O-])F

DOS

IR

Vibrations