Geometry & MOs

Info

ID:	171347
PubChem CID:	75364554
Reduced:	SN3O3C18H29 (1)
Stoich.:	AB3C3D18E29 (1)
Weight, g/mol:	329.054421
ΔH_f, kcal/mol:	-142.19
Dipole, Da:	4.78
IP(EA), eV:	-9.27(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-yl)-4-[[(E)-3-phenylprop-2-enyl]sulfinylmethyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C(=O)N(C)CC2=CSC=N2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations