Geometry & MOs

Info

ID:

117118

PubChem CID:

50591048

Reduced:

ClN5O6C33H36 (1)

Stoich.:

AB5C6D33E36 (1)

Weight, g/mol:

680.345296

ΔHf, kcal/mol:

-183.05

Dipole, Da:

10.48

IP(EA), eV:

 -8.7(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[1-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations