Geometry & MOs

Info

ID:

111989

PubChem CID:

50390002

Reduced:

O5N6C42H60 (1)

Stoich.:

A5B6C42D60 (1)

Weight, g/mol:

742.478169

ΔHf, kcal/mol:

-248.81

Dipole, Da:

4.41

IP(EA), eV:

 -8.7(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[2-methyl-3-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5CCCCC5)C

DOS

IR

Vibrations