Geometry & MOs

Info

ID:

343329

PubChem CID:

127266502

Reduced:

FNO3C15H18 (1)

Stoich.:

ABC3D15E18 (1)

Weight, g/mol:

641.066181

ΔHf, kcal/mol:

-164.37

Dipole, Da:

1.84

IP(EA), eV:

 -9.81(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-aminoethyl)-2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-N-[2-[2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]ethylcarbamoyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride

Drug info:

PubChemData

Smile

CCC=C(C)C(=O)NC(CC(=O)O)C1=CC=C(C=C1)F

DOS

IR

Vibrations