Geometry & MOs

Info

ID:

66323

PubChem CID:

46504311

Reduced:

ClFSO3N5C32H35 (1)

Stoich.:

ABCD3E5F32G35 (1)

Weight, g/mol:

628.271942

ΔHf, kcal/mol:

-91.71

Dipole, Da:

7.67

IP(EA), eV:

 -8.26(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[2-[3-[3-(4-benzylpiperidin-1-yl)propyl]-1-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations