Geometry & MOs

Info

ID:

98471

PubChem CID:

50044399

Reduced:

FN3O3C20H21 (2)

Stoich.:

AB3C3D20E21 (2)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-273.58

Dipole, Da:

8.19

IP(EA), eV:

 -8.56(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[3-[(2-fluorobenzoyl)amino]-4-methylanilino]-1-oxopropan-2-yl]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)C)NC(=O)C5=CC=C(C=C5)OC

DOS

IR

Vibrations