Geometry & MOs

Info

ID:

94864

PubChem CID:

50004436

Reduced:

F3O4N5C30H38 (1)

Stoich.:

A3B4C5D30E38 (1)

Weight, g/mol:

623.248617

ΔHf, kcal/mol:

-332.34

Dipole, Da:

7.47

IP(EA), eV:

 -9.26(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations