Geometry & MOs

Info

ID:

97836

PubChem CID:

50035656

Reduced:

F2N6O6C39H40 (1)

Stoich.:

A2B6C6D39E40 (1)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-272.6

Dipole, Da:

6.44

IP(EA), eV:

 -8.37(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-(cyclohexanecarbonylamino)-3-methoxyanilino]-2-oxoethyl]-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)F)OC

DOS

IR

Vibrations