Geometry & MOs

Info

ID:	66834
PubChem CID:	46505349
Reduced:	SN4O6C25H28 (1)
Stoich.:	AB4C6D25E28 (1)
Weight, g/mol:	516.123419
ΔH_f, kcal/mol:	-203.1
Dipole, Da:	2.42
IP(EA), eV:	-8.37(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-(2-acetamidoethyl)-4-[2-(4-chloroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCNC(=O)C)CC(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations