Geometry & MOs

Info

ID:

433835

PubChem CID:

135173978

Reduced:

FSO3N6C30H31 (1)

Stoich.:

ABC3D6E30F31 (1)

Weight, g/mol:

564.286032

ΔHf, kcal/mol:

-60.77

Dipole, Da:

6.84

IP(EA), eV:

 -8.68(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(E)-N-[(E)-amino-[(5Z)-5-butylidene-1-cyclopentyl-3-(3-hydroxyphenyl)-2-oxoimidazolidin-4-ylidene]methyl]-C-methylcarbonimidoyl]amino]-3-fluoro-N-(2-hydroxyethyl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=C(C(=NC(=N2)NC3=C(C=C(C=C3)S(=O)(=O)C)F)N(CC4=CC=CC=C4)CC5=CC=CC=C5)NC1=O

DOS

IR

Vibrations