Geometry & MOs

Info

ID:

100219

PubChem CID:

50059214

Reduced:

F2N5O5C35H41 (1)

Stoich.:

A2B5C5D35E41 (1)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-265.33

Dipole, Da:

7.25

IP(EA), eV:

 -8.49(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-(3-methylanilino)-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=CC=C4F)F)C

DOS

IR

Vibrations