Geometry & MOs

Info

ID:	156830
PubChem CID:	56394587
Reduced:	ClN2O2C21H23 (1)
Stoich.:	AB2C2D21E23 (1)
Weight, g/mol:	493.14382
ΔH_f, kcal/mol:	-33.78
Dipole, Da:	2.78
IP(EA), eV:	-8.27(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[1-(4-methoxyphenyl)piperidin-4-yl]-5-morpholin-4-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCC(CC2)NC(=O)/C=C/C3=CC(=CC=C3)Cl

DOS

IR

Vibrations