Geometry & MOs

Info

ID:	231527
PubChem CID:	87574039
Reduced:	SiO4C16H27 (1)
Stoich.:	AB4C16D27 (1)
Weight, g/mol:	358.98977
ΔH_f, kcal/mol:	-159.67
Dipole, Da:	6.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751192
Charge, e:	0

Chem-info

IUPAC name:

[3-(1,3-benzothiazol-2-yl)phenyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CCCCC=C(C(=O)O)C(CC(=O)O[Si])(C(C)C)C(C)C

DOS

IR

Vibrations