Geometry & MOs

Info

ID:

108052

PubChem CID:

50228354

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

633.312661

ΔHf, kcal/mol:

-227.94

Dipole, Da:

8.02

IP(EA), eV:

 -9.04(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations