Geometry & MOs

Info

ID:

119841

PubChem CID:

50704245

Reduced:

ClO5N6C36H51 (1)

Stoich.:

AB5C6D36E51 (1)

Weight, g/mol:

657.308183

ΔHf, kcal/mol:

-242.11

Dipole, Da:

3.58

IP(EA), eV:

 -8.96(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-N-[2-(cyclohexylcarbamoyl)-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC=CC(=C3)C(=O)NCC(C)C

DOS

IR

Vibrations