Geometry & MOs

Info

ID:

66920

PubChem CID:

46505517

Reduced:

ClSO4N5C34H38 (1)

Stoich.:

ABC4D5E34F38 (1)

Weight, g/mol:

605.222739

ΔHf, kcal/mol:

-91.67

Dipole, Da:

5.7

IP(EA), eV:

 -8.59(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCCN3CCN(CC3)CC4=CC=CC=C4)CC(=O)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations