Geometry & MOs

Info

ID:

102369

PubChem CID:

50066698

Reduced:

O3F4N4H28C29 (1)

Stoich.:

A3B4C4D28E29 (1)

Weight, g/mol:

686.359197

ΔHf, kcal/mol:

-252.94

Dipole, Da:

7.32

IP(EA), eV:

 -9.22(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-(butan-2-ylcarbamoyl)-6-methylanilino]-1-oxopropan-2-yl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations