Geometry & MOs

Info

ID:

111397

PubChem CID:

50365073

Reduced:

O5N6C41H58 (1)

Stoich.:

A5B6C41D58 (1)

Weight, g/mol:

728.462519

ΔHf, kcal/mol:

-240.61

Dipole, Da:

3.08

IP(EA), eV:

 -8.63(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(cyclohexylcarbamoyl)-6-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC=C4C(=O)NC5CCCC5)C)C

DOS

IR

Vibrations