Geometry & MOs

Info

ID:

66940

PubChem CID:

46505558

Reduced:

SO2F3N5C30H30 (1)

Stoich.:

AB2C3D5E30F30 (1)

Weight, g/mol:

635.237782

ΔHf, kcal/mol:

-126.93

Dipole, Da:

4.16

IP(EA), eV:

 -8.57(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[4-[2-(4-fluoroanilino)-2-oxoethyl]-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-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)F)C5=CC=C(C=C5)F

DOS

IR

Vibrations