Geometry & MOs

Info

ID:	66844
PubChem CID:	46505366
Reduced:	SN4O6C26H30 (1)
Stoich.:	AB4C6D26E30 (1)
Weight, g/mol:	454.167477
ΔH_f, kcal/mol:	-209.28
Dipole, Da:	5.64
IP(EA), eV:	-9.0(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCNC(=O)C)CC(=O)NC3=CC=C(C=C3)C(=O)OCC

DOS

IR

Vibrations