Geometry & MOs

Info

ID:	241079
PubChem CID:	93621574
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	-78.11
Dipole, Da:	3.29
IP(EA), eV:	-9.02(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-4H-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)C(=O)N3CCO[C@H]4[C@@H]3CCCC4

DOS

IR

Vibrations