Geometry & MOs

Info

ID:	231946
PubChem CID:	87574973
Reduced:	BrNSSiO5C21H32 (1)
Stoich.:	ABCDE5F21G32 (1)
Weight, g/mol:	222.071451
ΔH_f, kcal/mol:	-223.38
Dipole, Da:	8.64
IP(EA), eV:	-9.21(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-(3-methylbut-2-enyl) 2-hydroxybenzenecarbothioate

Drug info:

PubChemData

Smile

CON(C1CCC2(CC1)CC3=C(C2C(=O)O)C=C(C=C3)Br)S(=O)(=O)CC[Si](C)(C)C

DOS

IR

Vibrations