Geometry & MOs

Info

ID:

103205

PubChem CID:

50070540

Reduced:

Cl2F2O4N5C33H35 (1)

Stoich.:

A2B2C4D5E33F35 (1)

Weight, g/mol:

774.315281

ΔHf, kcal/mol:

-237.89

Dipole, Da:

13.08

IP(EA), eV:

 -8.99(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)Cl)Cl

DOS

IR

Vibrations