Geometry & MOs

Info

ID:

105099

PubChem CID:

50106352

Reduced:

O3F4N4H28C29 (1)

Stoich.:

A3B4C4D28E29 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-255.33

Dipole, Da:

2.33

IP(EA), eV:

 -8.82(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[1-[4-chloro-2-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C(=C(C=C4)F)F)F

DOS

IR

Vibrations