Geometry & MOs

Info

ID:	236698
PubChem CID:	92714472
Reduced:	ClON3H18C21 (1)
Stoich.:	ABC3D18E21 (1)
Weight, g/mol:	333.12774
ΔH_f, kcal/mol:	31.23
Dipole, Da:	2.82
IP(EA), eV:	-8.63(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(2-fluoroanilino)-6-(4-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@H](C3=C(C2=O)C=CC=N3)NC4=C(C=CC(=C4)Cl)C

DOS

IR

Vibrations