Geometry & MOs

Info

ID:

109386

PubChem CID:

50282433

Reduced:

O5N6C42H48 (1)

Stoich.:

A5B6C42D48 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-164.66

Dipole, Da:

5.49

IP(EA), eV:

 -8.57(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]anilino]-1-oxopropan-2-yl]-1-[2-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5C)C

DOS

IR

Vibrations