Geometry & MOs

Info

ID:	192570
PubChem CID:	78286800
Reduced:	ClOSN3C20H22 (1)
Stoich.:	ABCD3E20F22 (1)
Weight, g/mol:	414.185138
ΔH_f, kcal/mol:	35.96
Dipole, Da:	3.57
IP(EA), eV:	-8.88(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(2,5-dimethylphenyl)-2-[4-(2-phenylethenylsulfonyl)piperazin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CCCN(CCC1)CC2=NC(=O)C3C(=CSC3=N2)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations