Geometry & MOs

Info

ID:

100083

PubChem CID:

50058071

Reduced:

F4O4N5C31H31 (1)

Stoich.:

A4B4C5D31E31 (1)

Weight, g/mol:

609.256289

ΔHf, kcal/mol:

-294.27

Dipole, Da:

7.29

IP(EA), eV:

 -8.96(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-(5-fluoro-2-methylanilino)-1-oxopropan-2-yl]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)NC(C)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations