Geometry & MOs

Info

ID:

93508

PubChem CID:

49995098

Reduced:

O4N5C38H53 (1)

Stoich.:

A4B5C38D53 (1)

Weight, g/mol:

659.328311

ΔHf, kcal/mol:

-199.52

Dipole, Da:

8.05

IP(EA), eV:

 -8.52(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(2-fluorobenzoyl)amino]phenyl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5CCCCC5

DOS

IR

Vibrations