Geometry & MOs

Info

ID:	143903
PubChem CID:	53279648
Reduced:	NSO2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	356.155849
ΔH_f, kcal/mol:	-53.78
Dipole, Da:	2.65
IP(EA), eV:	-8.64(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-methoxyphenyl)methylsulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CSCC2=CC=C(C=C2)OC

DOS

IR

Vibrations