Geometry & MOs

Info

ID:	66851
PubChem CID:	46505377
Reduced:	ClSN4O4C23H25 (1)
Stoich.:	ABC4D4E23F25 (1)
Weight, g/mol:	516.123419
ΔH_f, kcal/mol:	-123.75
Dipole, Da:	3.22
IP(EA), eV:	-8.56(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[3-(2-acetamidoethyl)-1-(3-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCNC(=O)C)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations