Geometry & MOs

Info

ID:	147939
PubChem CID:	53787599
Reduced:	NOC18H23 (1)
Stoich.:	ABC18D23 (1)
Weight, g/mol:	403.025677
ΔH_f, kcal/mol:	-20.98
Dipole, Da:	1.09
IP(EA), eV:	-9.11(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-2-[3-(2-methylprop-1-enylsulfinyl)-4-nitrophenyl]-3-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)COC[C@H](CC2=CC=CC=C2)N)C

DOS

IR

Vibrations