Geometry & MOs

Info

ID:

100100

PubChem CID:

50058203

Reduced:

ClF2O5N6C40H47 (1)

Stoich.:

AB2C5D6E40F47 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-287.42

Dipole, Da:

7.16

IP(EA), eV:

 -9.02(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[4-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC=C5F)F)C)Cl

DOS

IR

Vibrations