Geometry & MOs

Info

ID:

99061

PubChem CID:

50047988

Reduced:

FN5O5C32H36 (1)

Stoich.:

AB5C5D32E36 (1)

Weight, g/mol:

714.277753

ΔHf, kcal/mol:

-209.15

Dipole, Da:

14.46

IP(EA), eV:

 -8.38(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(2,4-difluorophenyl)carbamoyl]anilino]-2-oxoethyl]-1-[2-[5-[(5-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=CC(=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)OC)NC(=O)C

DOS

IR

Vibrations