Geometry & MOs

Info

ID:

119708

PubChem CID:

50697228

Reduced:

ClN3O3C19H24 (2)

Stoich.:

AB3C3D19E24 (2)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-261.05

Dipole, Da:

8.57

IP(EA), eV:

 -9.18(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)C(=O)N2CCOCC2)Cl)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)Cl)C(=O)NC6CCCCC6

DOS

IR

Vibrations