Geometry & MOs

Info

ID:

120620

PubChem CID:

50737327

Reduced:

FO5N6C35H41 (1)

Stoich.:

AB5C6D35E41 (1)

Weight, g/mol:

662.302825

ΔHf, kcal/mol:

-219.02

Dipole, Da:

5.6

IP(EA), eV:

 -9.22(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(3,4-difluorophenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]-1-[1-oxo-1-[2-(propylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC=C3C(=O)NC4=CC(=CC=C4)F)C

DOS

IR

Vibrations