Geometry & MOs

Info

ID:	66835
PubChem CID:	46505351
Reduced:	ClSN4O5C24H25 (1)
Stoich.:	ABC4D5E24F25 (1)
Weight, g/mol:	500.152969
ΔH_f, kcal/mol:	-173.45
Dipole, Da:	1.91
IP(EA), eV:	-9.17(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-(2-acetamidoethyl)-4-[2-(4-fluoroanilino)-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)Cl

DOS

IR

Vibrations