Geometry & MOs

Info

ID:

238741

PubChem CID:

92765352

Reduced:

N4O4C33H40 (1)

Stoich.:

A4B4C33D40 (1)

Weight, g/mol:

563.293011

ΔHf, kcal/mol:

-95.25

Dipole, Da:

5.57

IP(EA), eV:

 -8.27(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4R)-3-[3-(4-benzylpiperazin-1-yl)propyl]-5-oxo-1-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)CCCNC(=O)[C@H]2[C@@H](N(C(=O)C3=CC=CC=C23)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC

DOS

IR

Vibrations