Geometry & MOs

Info

ID:

98849

PubChem CID:

50046646

Reduced:

ClO4F5N5H29C31 (1)

Stoich.:

AB4C5D5E29F31 (1)

Weight, g/mol:

647.21671

ΔHf, kcal/mol:

-367.04

Dipole, Da:

6.69

IP(EA), eV:

 -9.0(-1.24)

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-oxo-2-[2-(trifluoromethoxy)anilino]ethyl]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=C(C=C(C=C4)Cl)C(F)(F)F

DOS

IR

Vibrations