Geometry & MOs

Info

ID:

114235

PubChem CID:

50474793

Reduced:

ClF2O5N6H37C38 (1)

Stoich.:

AB2C5D6E37F38 (1)

Weight, g/mol:

768.34469

ΔHf, kcal/mol:

-233.49

Dipole, Da:

4.72

IP(EA), eV:

 -8.78(-0.56)

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-[5-[(4-fluorophenyl)carbamoyl]-2-methoxyanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=C(C=CC(=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=CC=C5F)F)Cl

DOS

IR

Vibrations