Geometry & MOs

Info

ID:

112481

PubChem CID:

50409167

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

589.362805

ΔHf, kcal/mol:

-192.9

Dipole, Da:

10.53

IP(EA), eV:

 -8.71(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-(cyclohexanecarbonylamino)-4-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C)NC(=O)CC4=CC=C(C=C4)F)C

DOS

IR

Vibrations