Geometry & MOs

Info

ID:	236713
PubChem CID:	92714543
Reduced:	FON3H14C19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	319.11209
ΔH_f, kcal/mol:	14.89
Dipole, Da:	3.01
IP(EA), eV:	-8.8(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2[C@@H](C3=C(C2=O)C=CC=N3)NC4=CC=CC=C4F

DOS

IR

Vibrations