Geometry & MOs

Info

ID:

114259

PubChem CID:

50475998

Reduced:

F2O5N6C42H46 (1)

Stoich.:

A2B5C6D42E46 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-252.54

Dipole, Da:

5.71

IP(EA), eV:

 -8.8(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]-1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]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(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations