Geometry & MOs

Info

ID:	236552
PubChem CID:	92713920
Reduced:	ClFO2N3H13C18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	333.147727
ΔH_f, kcal/mol:	-30.97
Dipole, Da:	3.32
IP(EA), eV:	-8.76(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(2-ethylanilino)-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=C(C=C(C=C4)F)Cl)N=C1

DOS

IR

Vibrations