Geometry & MOs

Info

ID:

90654

PubChem CID:

49970991

Reduced:

ClO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-179.23

Dipole, Da:

6.71

IP(EA), eV:

 -8.49(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations