Geometry & MOs

Info

ID:	357693
PubChem CID:	127294367
Reduced:	ClN2O2S2C15H15 (1)
Stoich.:	AB2C2D2E15F15 (1)
Weight, g/mol:	350.075885
ΔH_f, kcal/mol:	-17.28
Dipole, Da:	6.02
IP(EA), eV:	-9.46(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2CC1CN2S(=O)(=O)C3=CSC(=N3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations