Geometry & MOs

Info

ID:	236572
PubChem CID:	92714057
Reduced:	SN3O3H19C20 (1)
Stoich.:	AB3C3D19E20 (1)
Weight, g/mol:	355.054611
ΔH_f, kcal/mol:	-14.61
Dipole, Da:	2.37
IP(EA), eV:	-8.12(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(3-chloroanilino)-6-(thiophen-2-ylmethyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CS4)OC

DOS

IR

Vibrations