Geometry & MOs

Info

ID:

110109

PubChem CID:

50310176

Reduced:

FN3O3C20H21 (2)

Stoich.:

AB3C3D20E21 (2)

Weight, g/mol:

742.309053

ΔHf, kcal/mol:

-279.36

Dipole, Da:

4.82

IP(EA), eV:

 -8.63(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(2,5-difluorophenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]-1-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC=CC=C5OC)F)C)F

DOS

IR

Vibrations