Geometry & MOs

Info

ID:

120118

PubChem CID:

50714705

Reduced:

Cl2O5N6C35H48 (1)

Stoich.:

A2B5C6D35E48 (1)

Weight, g/mol:

643.292532

ΔHf, kcal/mol:

-243.53

Dipole, Da:

5.94

IP(EA), eV:

 -8.52(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations