Geometry & MOs

Info

ID:

92635

PubChem CID:

49988653

Reduced:

N6O6C41H52 (1)

Stoich.:

A6B6C41D52 (1)

Weight, g/mol:

601.287589

ΔHf, kcal/mol:

-227.83

Dipole, Da:

9.74

IP(EA), eV:

 -8.28(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-oxo-3-(2,3,4-trifluoroanilino)propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCCC5)C)OC

DOS

IR

Vibrations