Geometry & MOs

Info

ID:

114158

PubChem CID:

50473399

Reduced:

ClF4O4N5C35H38 (1)

Stoich.:

AB4C4D5E35F38 (1)

Weight, g/mol:

631.316998

ΔHf, kcal/mol:

-351.86

Dipole, Da:

8.95

IP(EA), eV:

 -8.88(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)C)F

DOS

IR

Vibrations