Geometry & MOs

Info

ID:

98742

PubChem CID:

50046105

Reduced:

ClO4F5N5C35H37 (1)

Stoich.:

AB4C5D5E35F37 (1)

Weight, g/mol:

607.260626

ΔHf, kcal/mol:

-392.6

Dipole, Da:

10.97

IP(EA), eV:

 -8.9(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-(2-ethoxyanilino)-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)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations