Geometry & MOs

Info

ID:	236600
PubChem CID:	92714203
Reduced:	N3O4H19C22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	409.04259
ΔH_f, kcal/mol:	-66.95
Dipole, Da:	4.27
IP(EA), eV:	-8.52(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2[C@@H](C3=C(C2=O)C=CC=N3)NC4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations