Geometry & MOs

Info

ID:	357694
PubChem CID:	127294368
Reduced:	N2S2O3C16H18 (1)
Stoich.:	A2B2C3D16E18 (1)
Weight, g/mol:	384.036913
ΔH_f, kcal/mol:	-56.0
Dipole, Da:	6.31
IP(EA), eV:	-9.27(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]sulfonyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine

Drug info:

PubChemData

Smile

C1CC2C(C1)OCCN2S(=O)(=O)C3=CSC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations