Geometry & MOs

Info

ID:

99966

PubChem CID:

50056616

Reduced:

F2N6O6C37H44 (1)

Stoich.:

A2B6C6D37E44 (1)

Weight, g/mol:

609.256289

ΔHf, kcal/mol:

-316.4

Dipole, Da:

7.39

IP(EA), eV:

 -8.32(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]-N-[1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C)OC

DOS

IR

Vibrations