Geometry & MOs

Info

ID:

93328

PubChem CID:

49993421

Reduced:

F2O4N5C38H45 (1)

Stoich.:

A2B4C5D38E45 (1)

Weight, g/mol:

629.394105

ΔHf, kcal/mol:

-241.83

Dipole, Da:

6.61

IP(EA), eV:

 -8.74(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(cyclopentylcarbamoyl)-2-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=C(C=C(C=C4)C(=O)NC5=C(C=CC(=C5)F)F)C

DOS

IR

Vibrations