Geometry & MOs

Info

ID:	376167
PubChem CID:	134222172
Reduced:	NF3C20H22 (1)
Stoich.:	AB3C20D22 (1)
Weight, g/mol:	587.94191
ΔH_f, kcal/mol:	-132.53
Dipole, Da:	4.15
IP(EA), eV:	-9.06(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[[2-bromo-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]phenyl]-hydroxymethyl]-N-methylpropanethiohydrazide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(/C=C/C2=CC(=C(C=C2)CN)C)C(F)(F)F)C

DOS

IR

Vibrations