Geometry & MOs

Info

ID:

66869

PubChem CID:

46505408

Reduced:

ClSN4O5C29H35 (1)

Stoich.:

ABC4D5E29F35 (1)

Weight, g/mol:

525.240976

ΔHf, kcal/mol:

-172.08

Dipole, Da:

8.17

IP(EA), eV:

 -8.95(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(4-ethoxyphenyl)-3-[2-(4-methylpiperazin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCN3CCC(CC3)C)C4=CC(=C(C=C4)OC)Cl

DOS

IR

Vibrations