Geometry & MOs

Info

ID:	357200
PubChem CID:	127293704
Reduced:	S2N3O3C18H29 (1)
Stoich.:	A2B3C3D18E29 (1)
Weight, g/mol:	387.107519
ΔH_f, kcal/mol:	-115.55
Dipole, Da:	3.41
IP(EA), eV:	-8.92(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)butanamide

Drug info:

PubChemData

Smile

CCN1CCCC1CNC(=O)C2=CC=C(S2)S(=O)(=O)N3CCC(CC3)C

DOS

IR

Vibrations