Geometry & MOs

Info

ID:	236647
PubChem CID:	92714312
Reduced:	FO2N3H20C22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	408.123383
ΔH_f, kcal/mol:	-40.6
Dipole, Da:	2.92
IP(EA), eV:	-8.76(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(4-fluoro-3-nitroanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=C(C=C4)OC

DOS

IR

Vibrations