Geometry & MOs

Info

ID:	236545
PubChem CID:	92713870
Reduced:	ClO2N3H16C19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	373.038482
ΔH_f, kcal/mol:	6.12
Dipole, Da:	2.15
IP(EA), eV:	-9.07(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)N[C@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CO4

DOS

IR

Vibrations