Geometry & MOs

Info

ID:

103077

PubChem CID:

50070390

Reduced:

F3O5N6C42H45 (1)

Stoich.:

A3B5C6D42E45 (1)

Weight, g/mol:

770.340353

ΔHf, kcal/mol:

-303.75

Dipole, Da:

10.28

IP(EA), eV:

 -8.6(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[2-[(3-fluoro-4-methylphenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)F)F)C)C)F

DOS

IR

Vibrations