Geometry & MOs

Info

ID:	284944
PubChem CID:	104084770
Reduced:	NSCl2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	282.045684
ΔH_f, kcal/mol:	-6.27
Dipole, Da:	3.74
IP(EA), eV:	-9.03(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorobutan-2-ylsulfanylmethyl)-3-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC(CCCl)SCC1=C(C=NC=C1)Cl

DOS

IR

Vibrations