Geometry & MOs

Info

ID:

112947

PubChem CID:

50427070

Reduced:

F3O5N6C40H41 (1)

Stoich.:

A3B5C6D40E41 (1)

Weight, g/mol:

690.334125

ΔHf, kcal/mol:

-290.61

Dipole, Da:

7.62

IP(EA), eV:

 -8.78(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-methyl-4-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations