Geometry & MOs

Info

ID:	137473
PubChem CID:	52212663
Reduced:	SN3O7H14C17 (1)
Stoich.:	AB3C7D14E17 (1)
Weight, g/mol:	304.102334
ΔH_f, kcal/mol:	-57.44
Dipole, Da:	7.85
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.833655
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=NS(=O)(=O)C1=C(C=C(C=C1)OC)[N+](=O)[O-])[O-])OC2=CC=CC=C2C#N

DOS

IR

Vibrations