Geometry & MOs

Info

ID:

113876

PubChem CID:

50462352

Reduced:

O5N6C43H50 (1)

Stoich.:

A5B6C43D50 (1)

Weight, g/mol:

734.359197

ΔHf, kcal/mol:

-172.68

Dipole, Da:

9.46

IP(EA), eV:

 -8.46(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations