Geometry & MOs

Info

ID:

108181

PubChem CID:

50233872

Reduced:

ClFO4N5C30H31 (1)

Stoich.:

ABC4D5E30F31 (1)

Weight, g/mol:

734.359197

ΔHf, kcal/mol:

-171.92

Dipole, Da:

10.12

IP(EA), eV:

 -8.95(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations