Geometry & MOs

Info

ID:	136061
PubChem CID:	51973254
Reduced:	FSN2O3H16C17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	343.093247
ΔH_f, kcal/mol:	-78.04
Dipole, Da:	5.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779888
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(2,6-difluorophenyl)-3-(3-fluorophenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=C2F)C(=O)N3CCC[C@H](C3)C(=O)[O-]

DOS

IR

Vibrations