Geometry & MOs

Info

ID:

116491

PubChem CID:

50562907

Reduced:

ClO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-177.19

Dipole, Da:

6.99

IP(EA), eV:

 -9.01(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[2-[(2-methylcyclohexyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations