Geometry & MOs

Info

ID:

66960

PubChem CID:

46505596

Reduced:

S2O3N5C33H39 (1)

Stoich.:

A2B3C5D33E39 (1)

Weight, g/mol:

615.287926

ΔHf, kcal/mol:

-35.16

Dipole, Da:

3.02

IP(EA), eV:

 -8.21(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(4-methoxyphenyl)-5-oxo-3-[3-(4-phenylpiperazin-1-yl)propyl]-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCN(CC3)C4=CC=CC=C4)C5=CC(=CC=C5)SC

DOS

IR

Vibrations