Geometry & MOs

Info

ID:	66987
PubChem CID:	46505646
Reduced:	ClFSO3N4C26H30 (1)
Stoich.:	ABCD3E4F26G30 (1)
Weight, g/mol:	485.165224
ΔH_f, kcal/mol:	-130.21
Dipole, Da:	1.21
IP(EA), eV:	-8.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-[3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCN2C(C(=O)N(C2=S)C3=CC(=C(C=C3)OC)Cl)CC(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations