Geometry & MOs

Info

ID:	376213
PubChem CID:	134222223
Reduced:	ClNC11H14 (1)
Stoich.:	ABC11D14 (1)
Weight, g/mol:	528.999316
ΔH_f, kcal/mol:	13.83
Dipole, Da:	2.58
IP(EA), eV:	-8.39(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-chloro-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trichlorophenyl)but-1-enyl]phenyl]methyl]pentanethioamide

Drug info:

PubChemData

Smile

CC/C=C/NCC1=CC=CC=C1Cl

DOS

IR

Vibrations