Geometry & MOs

Info

ID:	175468
PubChem CID:	75909259
Reduced:	FN2O3C22H30 (1)
Stoich.:	AB2C3D22E30 (1)
Weight, g/mol:	346.11627
ΔH_f, kcal/mol:	-119.25
Dipole, Da:	3.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755901
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethylsulfonyl)-N-(1-ethylpiperidin-3-yl)benzamide

Drug info:

PubChemData

Smile

CC1CCCC(C1)(CNC(=O)C2=CC=C(O2)COC3=CC=C(C=C3)F)[NH+](C)C

DOS

IR

Vibrations