Geometry & MOs

Info

ID:	137334
PubChem CID:	52191651
Reduced:	OSN2C15H25 (1)
Stoich.:	ABC2D15E25 (1)
Weight, g/mol:	367.192963
ΔH_f, kcal/mol:	-12.84
Dipole, Da:	14.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.941644
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-ethyl-N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)N(C)C2CC[NH+](CC2)C(C)C

DOS

IR

Vibrations