Geometry & MOs

Info

ID:

93489

PubChem CID:

49995052

Reduced:

O4N5C38H47 (1)

Stoich.:

A4B5C38D47 (1)

Weight, g/mol:

655.353383

ΔHf, kcal/mol:

-144.2

Dipole, Da:

5.73

IP(EA), eV:

 -8.62(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]-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)C5=CC=CC=C5

DOS

IR

Vibrations