Geometry & MOs

Info

ID:

109434

PubChem CID:

50284121

Reduced:

O4N5C35H43 (1)

Stoich.:

A4B5C35D43 (1)

Weight, g/mol:

770.340353

ΔHf, kcal/mol:

-141.72

Dipole, Da:

8.69

IP(EA), eV:

 -8.62(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-fluoro-3-[[2-(4-fluorophenyl)acetyl]amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4C)C)C

DOS

IR

Vibrations