Geometry & MOs

Info

ID:

93486

PubChem CID:

49995044

Reduced:

N5O5C36H51 (1)

Stoich.:

A5B5C36D51 (1)

Weight, g/mol:

671.323833

ΔHf, kcal/mol:

-226.58

Dipole, Da:

5.51

IP(EA), eV:

 -8.53(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-chlorobenzoyl)amino]-4-methylphenyl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C)OC

DOS

IR

Vibrations