Geometry & MOs

Info

ID:

66919

PubChem CID:

46505515

Reduced:

ClFSO2N5C31H33 (1)

Stoich.:

ABCD2E5F31G33 (1)

Weight, g/mol:

647.233304

ΔHf, kcal/mol:

-47.44

Dipole, Da:

3.02

IP(EA), eV:

 -8.84(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[3-[3-(4-benzylpiperazin-1-yl)propyl]-4-[2-(4-chloroanilino)-2-oxoethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

C1CN(CCN1CCCN2C(C(=O)N(C2=S)C3=CC=C(C=C3)F)CC(=O)NC4=CC=C(C=C4)Cl)CC5=CC=CC=C5

DOS

IR

Vibrations