Geometry & MOs

Info

ID:

66986

PubChem CID:

46505645

Reduced:

ClSN4O4C28H33 (1)

Stoich.:

ABC4D4E28F33 (1)

Weight, g/mol:

532.171118

ΔHf, kcal/mol:

-134.04

Dipole, Da:

1.5

IP(EA), eV:

 -8.99(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(3-chloro-4-methoxyphenyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations