Geometry & MOs

Info

ID:

98404

PubChem CID:

50043720

Reduced:

F5N5O5C32H32 (1)

Stoich.:

A5B5C5D32E32 (1)

Weight, g/mol:

676.318475

ΔHf, kcal/mol:

-411.46

Dipole, Da:

11.02

IP(EA), eV:

 -8.9(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(diethylcarbamoyl)-6-methylanilino]-2-oxoethyl]-1-[2-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations