Geometry & MOs

Info

ID:	236557
PubChem CID:	92713942
Reduced:	BrO2N3H14C18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	383.02694
ΔH_f, kcal/mol:	26.79
Dipole, Da:	4.12
IP(EA), eV:	-8.74(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(3-bromoanilino)-6-(furan-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

C1=CC2=C([C@@H](N(C2=O)CC3=CC=CO3)NC4=CC=C(C=C4)Br)N=C1

DOS

IR

Vibrations