Geometry & MOs

Info

ID:	66833
PubChem CID:	46505347
Reduced:	O3S3N4H18C21 (1)
Stoich.:	A3B3C4D18E21 (1)
Weight, g/mol:	512.172956
ΔH_f, kcal/mol:	27.2
Dipole, Da:	6.43
IP(EA), eV:	-8.99(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CSC1=NSC2=NC(=O)/C(=C\C3=CC=C(C=C3)OC(=O)C4=CC=CS4)/C(=N)N21

DOS

IR

Vibrations