Geometry & MOs

Info

ID:	158229
PubChem CID:	56463195
Reduced:	OSN6C25H32 (1)
Stoich.:	ABC6D25E32 (1)
Weight, g/mol:	493.195462
ΔH_f, kcal/mol:	53.9
Dipole, Da:	5.95
IP(EA), eV:	-8.69(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]acetamide

Drug info:

PubChemData

Smile

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC(CN3CCN(CC3)C)C4=CC=CC=C4

DOS

IR

Vibrations