Geometry & MOs

Info

ID:	231390
PubChem CID:	87573608
Reduced:	BrSO2N8C19H23 (1)
Stoich.:	ABC2D8E19F23 (1)
Weight, g/mol:	222.069006
ΔH_f, kcal/mol:	20.91
Dipole, Da:	3.87
IP(EA), eV:	-8.54(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

trifluoro-[4-(2-methylpropyl)phenyl]-lambda4-sulfane

Drug info:

PubChemData

Smile

CC1CN(CCN1/C(=N\S(=O)(=O)N)/NC2=CC(=CC=C2)Br)C3=NC=NC4=C3C(=CN4)C

DOS

IR

Vibrations