Geometry & MOs

Info

ID:

108402

PubChem CID:

50243785

Reduced:

F2O5N6C40H42 (1)

Stoich.:

A2B5C6D40E42 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-242.2

Dipole, Da:

13.54

IP(EA), eV:

 -8.8(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]-1-[2-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC=C4C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations