Geometry & MOs

Info

ID:	36801
PubChem CID:	8012890
Reduced:	SCl2N2O3H14C16 (1)
Stoich.:	AB2C2D3E14F16 (1)
Weight, g/mol:	373.017557
ΔH_f, kcal/mol:	-82.44
Dipole, Da:	3.54
IP(EA), eV:	-9.02(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl 1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=NC=C(C=C1)Cl)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations