Geometry & MOs

Info

ID:

105685

PubChem CID:

50139214

Reduced:

O4F5N5C32H32 (1)

Stoich.:

A4B5C5D32E32 (1)

Weight, g/mol:

710.279503

ΔHf, kcal/mol:

-370.79

Dipole, Da:

3.57

IP(EA), eV:

 -9.26(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-3-(diethylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations