Geometry & MOs

Info

ID:	244057
PubChem CID:	99309537
Reduced:	N3O5C27H31 (1)
Stoich.:	A3B5C27D31 (1)
Weight, g/mol:	493.14382
ΔH_f, kcal/mol:	-126.63
Dipole, Da:	2.29
IP(EA), eV:	-9.04(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(dimethylsulfamoyl)-N-[1-[2-(3-methoxyphenyl)acetyl]piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NC3CCN(CC3)C(=O)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations