Geometry & MOs

Info

ID:	401275
PubChem CID:	135050769
Reduced:	ClNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	331.033686
ΔH_f, kcal/mol:	-92.83
Dipole, Da:	2.81
IP(EA), eV:	-9.88(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-diphenyl-1,2-thiazol-5-yl) methanesulfonate

Drug info:

PubChemData

Smile

CCCCCCC(C(C1=CC=CC=C1)Cl)(O)OC=N

DOS

IR

Vibrations