Geometry & MOs

Info

ID:	156543
PubChem CID:	56371073
Reduced:	NSO5C20H29 (1)
Stoich.:	ABC5D20E29 (1)
Weight, g/mol:	494.164221
ΔH_f, kcal/mol:	-204.92
Dipole, Da:	2.71
IP(EA), eV:	-8.28(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-N-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)C3CCS(=O)(=O)C3)OC

DOS

IR

Vibrations