Geometry & MOs

Info

ID:

119686

PubChem CID:

50696375

Reduced:

ClN3O3C18H24 (2)

Stoich.:

AB3C3D18E24 (2)

Weight, g/mol:

756.316889

ΔHf, kcal/mol:

-264.04

Dipole, Da:

6.63

IP(EA), eV:

 -8.78(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(cyclohexanecarbonylamino)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-chloro-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=CC(=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl)Cl

DOS

IR

Vibrations