Geometry & MOs

Info

ID:

105843

PubChem CID:

50139935

Reduced:

F3N5O5H36C37 (1)

Stoich.:

A3B5C5D36E37 (1)

Weight, g/mol:

687.266854

ΔHf, kcal/mol:

-265.82

Dipole, Da:

9.34

IP(EA), eV:

 -8.56(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations