Geometry & MOs

Info

ID:

97985

PubChem CID:

50037592

Reduced:

O4F5N5H30C31 (1)

Stoich.:

A4B5C5D30E31 (1)

Weight, g/mol:

609.256289

ΔHf, kcal/mol:

-336.09

Dipole, Da:

6.5

IP(EA), eV:

 -9.26(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(5-fluoro-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations