Geometry & MOs

Info

ID:	124218
PubChem CID:	50875261
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	373.12269
ΔH_f, kcal/mol:	-119.43
Dipole, Da:	6.77
IP(EA), eV:	-8.78(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations