Geometry & MOs

Info

ID:

375818

PubChem CID:

134221808

Reduced:

BrCl2N2S2F6H17C22 (1)

Stoich.:

AB2C2D2E6F17G22 (1)

Weight, g/mol:

658.02241

ΔHf, kcal/mol:

-263.32

Dipole, Da:

5.43

IP(EA), eV:

 -8.87(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-bromo-4-[(E)-3-(3,4-dichloro-5-methylphenyl)-4,4,4-trifluorobut-1-enyl]-N-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Cl)C(/C=C/C2=CC(=C(C=C2)C(=S)NCC(=S)NCC(F)(F)F)Br)C(F)(F)F)Cl

DOS

IR

Vibrations