Geometry & MOs

Info

ID:

103814

PubChem CID:

50073885

Reduced:

FO3N4C30H33 (1)

Stoich.:

AB3C4D30E33 (1)

Weight, g/mol:

693.2326

ΔHf, kcal/mol:

-131.31

Dipole, Da:

9.03

IP(EA), eV:

 -8.62(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(2-bromo-4,5-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)C)F

DOS

IR

Vibrations