Geometry & MOs

Info

ID:	236679
PubChem CID:	92714411
Reduced:	ClFON3H15C20 (1)
Stoich.:	ABCD3E15F20 (1)
Weight, g/mol:	367.088768
ΔH_f, kcal/mol:	1.91
Dipole, Da:	2.66
IP(EA), eV:	-9.13(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2[C@H](C3=C(C2=O)C=CC=N3)NC4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations