Geometry & MOs

Info

ID:

96714

PubChem CID:

50023846

Reduced:

FO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

734.359197

ΔHf, kcal/mol:

-233.36

Dipole, Da:

7.28

IP(EA), eV:

 -9.05(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[3-[(2-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC=C4C(=O)NC(C)C

DOS

IR

Vibrations