Geometry & MOs

Info

ID:

66331

PubChem CID:

46504335

Reduced:

ClFSO4N5C33H35 (1)

Stoich.:

ABCD4E5F33G35 (1)

Weight, g/mol:

633.217653

ΔHf, kcal/mol:

-133.53

Dipole, Da:

7.61

IP(EA), eV:

 -8.57(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations