Geometry & MOs

Info

ID:	243717
PubChem CID:	99234270
Reduced:	ClSO2N3C19H28 (1)
Stoich.:	ABC2D3E19F28 (1)
Weight, g/mol:	362.239185
ΔH_f, kcal/mol:	-43.33
Dipole, Da:	1.83
IP(EA), eV:	-8.56(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-2-propan-2-ylsulfanylbenzamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)CCCCNC(=O)[C@@H]2CC(=NO2)C3=CC=C(S3)Cl)C

DOS

IR

Vibrations