Geometry & MOs

Info

ID:

93380

PubChem CID:

49994532

Reduced:

F3O4N5C33H42 (1)

Stoich.:

A3B4C5D33E42 (1)

Weight, g/mol:

597.312661

ΔHf, kcal/mol:

-336.03

Dipole, Da:

10.23

IP(EA), eV:

 -8.89(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2,5-difluoroanilino)-1-oxopropan-2-yl]-1-[2-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations