Geometry & MOs

Info

ID:	236700
PubChem CID:	92714482
Reduced:	N4O4H18C21 (1)
Stoich.:	A4B4C18D21 (1)
Weight, g/mol:	390.132805
ΔH_f, kcal/mol:	5.75
Dipole, Da:	5.47
IP(EA), eV:	-8.82(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@H](C3=C(C2=O)C=CC=N3)NC4=C(C=C(C=C4)[N+](=O)[O-])OC

DOS

IR

Vibrations