Geometry & MOs

Info

ID:	231266
PubChem CID:	87573291
Reduced:	O6Si6C20H49 (1)
Stoich.:	A6B6C20D49 (1)
Weight, g/mol:	253.023121
ΔH_f, kcal/mol:	-621.96
Dipole, Da:	5.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752401
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-yl)-4-sulfanylbutanoic acid

Drug info:

PubChemData

Smile

CCCC(C(=C)C(=O)O)([Si](C)(C)C)[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)C

DOS

IR

Vibrations