Geometry & MOs

Info

ID:	236712
PubChem CID:	92714537
Reduced:	ClON3H16C20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	319.11209
ΔH_f, kcal/mol:	41.87
Dipole, Da:	2.81
IP(EA), eV:	-8.58(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(2-fluoroanilino)-6-phenyl-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)N2C4=CC=CC=C4

DOS

IR

Vibrations