Geometry & MOs

Info

ID:

117969

PubChem CID:

50622633

Reduced:

Cl2O5N6C31H40 (1)

Stoich.:

A2B5C6D31E40 (1)

Weight, g/mol:

672.259374

ΔHf, kcal/mol:

-222.86

Dipole, Da:

7.97

IP(EA), eV:

 -8.85(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-chloro-3-(cyclohexanecarbonylamino)anilino]-3-oxopropyl]-1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations