Geometry & MOs

Info

ID:	149461
PubChem CID:	53789134
Reduced:	BrSN2O3C24H25 (1)
Stoich.:	ABC2D3E24F25 (1)
Weight, g/mol:	246.069006
ΔH_f, kcal/mol:	-64.06
Dipole, Da:	2.08
IP(EA), eV:	-8.45(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfanyl-4-(4,4,4-trifluoro-2-methylbut-1-enyl)benzene

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C2=CC=C(C=C2)Br)CCCOC(=O)NC3=CC4=C(C=C3)SC=C4

DOS

IR

Vibrations