Geometry & MOs

Info

ID:

98850

PubChem CID:

50046647

Reduced:

F5N5O5H30C31 (1)

Stoich.:

A5B5C5D30E31 (1)

Weight, g/mol:

581.224989

ΔHf, kcal/mol:

-395.94

Dipole, Da:

6.93

IP(EA), eV:

 -8.82(-0.91)

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-(3-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4OC(F)(F)F

DOS

IR

Vibrations