Geometry & MOs

Info

ID:

171631

PubChem CID:

75408709

Reduced:

S3N4O4F6H20C27 (1)

Stoich.:

A3B4C4D6E20F27 (1)

Weight, g/mol:

470.187543

ΔHf, kcal/mol:

-380.02

Dipole, Da:

6.54

IP(EA), eV:

 -9.35(-2.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[(Z)-2-cyano-3-(3-methoxy-4-pentoxyphenyl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1/C(=C\2/C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F)/C(=O)N(C1=S)CCC(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations