Geometry & MOs

Info

ID:

117004

PubChem CID:

50584646

Reduced:

Cl2O5N6C32H40 (1)

Stoich.:

A2B5C6D32E40 (1)

Weight, g/mol:

700.290674

ΔHf, kcal/mol:

-231.58

Dipole, Da:

10.6

IP(EA), eV:

 -8.95(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)NC(=O)C)Cl)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCCC4

DOS

IR

Vibrations