Geometry & MOs

Info

ID:	137715
PubChem CID:	52248914
Reduced:	SN2O3C18H29 (1)
Stoich.:	AB2C3D18E29 (1)
Weight, g/mol:	352.182064
ΔH_f, kcal/mol:	-102.17
Dipole, Da:	4.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753518
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3R)-3-methylpiperidin-1-yl]butyl]-4-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC[NH+](C1)CCCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations