Geometry & MOs

Info

ID:

441058

PubChem CID:

135232909

Reduced:

ClFO2N3C25H35 (1)

Stoich.:

ABC2D3E25F35 (1)

Weight, g/mol:

606.167924

ΔHf, kcal/mol:

-58.13

Dipole, Da:

5.24

IP(EA), eV:

 -9.37(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S,4Z,6Z)-8-chloro-1-[(4,4-difluorocyclohexyl)amino]-3-methylidene-1-oxoocta-4,6-dien-2-yl]-N-(3-fluorophenyl)-5-oxo-1-(1,3-thiazol-4-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C=C/C(=C\C=C/CF)/N(C(CC1=CC=CCCC1Cl)C(=O)NC2CCCCCCC2)N=O

DOS

IR

Vibrations