Geometry & MOs

Info

ID:	236517
PubChem CID:	92713783
Reduced:	OF2N3H17C21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	351.118318
ΔH_f, kcal/mol:	-47.97
Dipole, Da:	2.94
IP(EA), eV:	-8.87(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(3-fluoroanilino)-6-[(4-fluorophenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=C(C=C4)F

DOS

IR

Vibrations