Geometry & MOs

Info

ID:

96234

PubChem CID:

50019459

Reduced:

ClO5N6C35H49 (1)

Stoich.:

AB5C6D35E49 (1)

Weight, g/mol:

694.360946

ΔHf, kcal/mol:

-242.12

Dipole, Da:

7.01

IP(EA), eV:

 -8.7(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(cyclohexanecarbonylamino)anilino]-1-oxopropan-2-yl]-1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations