Geometry & MOs

Info

ID:

110353

PubChem CID:

50321372

Reduced:

F3O5N6C40H41 (1)

Stoich.:

A3B5C6D40E41 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-285.82

Dipole, Da:

8.65

IP(EA), eV:

 -8.94(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(3,4-difluorophenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]-1-[1-[4-[(2-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)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5F)C

DOS

IR

Vibrations