Geometry & MOs

Info

ID:	209570
PubChem CID:	80688310
Reduced:	NSO3C15H21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	306.03604
ΔH_f, kcal/mol:	-108.98
Dipole, Da:	1.95
IP(EA), eV:	-9.62(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-chloro-5-(chloromethyl)-1,3-thiazol-2-yl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)N1CCC(CC1)C=O)C2=CC=CC=C2

DOS

IR

Vibrations