Geometry & MOs

Info

ID:	79194
PubChem CID:	49747345
Reduced:	ClSN2O3C23H27 (1)
Stoich.:	ABC2D3E23F27 (1)
Weight, g/mol:	466.203862
ΔH_f, kcal/mol:	-92.54
Dipole, Da:	5.46
IP(EA), eV:	-9.22(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(imidazol-1-ylmethyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)/C=C/C3=CC=CC=C3Cl

DOS

IR

Vibrations