Geometry & MOs

Info

ID:

66890

PubChem CID:

46505462

Reduced:

ClSN4O4C24H27 (1)

Stoich.:

ABC4D4E24F27 (1)

Weight, g/mol:

609.262105

ΔHf, kcal/mol:

-128.06

Dipole, Da:

7.89

IP(EA), eV:

 -8.9(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[[2-[1-(4-ethoxycarbonylphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCNC(=O)C)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations