Geometry & MOs

Info

ID:

115878

PubChem CID:

50537442

Reduced:

Cl2O4N5C30H37 (1)

Stoich.:

A2B4C5D30E37 (1)

Weight, g/mol:

700.290674

ΔHf, kcal/mol:

-168.07

Dipole, Da:

11.47

IP(EA), eV:

 -8.86(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)Cl)Cl

DOS

IR

Vibrations