Geometry & MOs

Info

ID:

98448

PubChem CID:

50044230

Reduced:

FN2O2C13H13 (3)

Stoich.:

AB2C2D13E13 (3)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-310.5

Dipole, Da:

9.05

IP(EA), eV:

 -8.53(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-[3-[(5-fluoro-2-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations