Geometry & MOs

Info

ID:

103254

PubChem CID:

50071366

Reduced:

F3O4N5C34H38 (1)

Stoich.:

A3B4C5D34E38 (1)

Weight, g/mol:

641.262517

ΔHf, kcal/mol:

-279.76

Dipole, Da:

8.79

IP(EA), eV:

 -8.8(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3,4-difluoroanilino)-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=CC(=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C)F

DOS

IR

Vibrations