Geometry & MOs

Info

ID:	312398
PubChem CID:	126604626
Reduced:	S2N3O3C20H23 (1)
Stoich.:	A2B3C3D20E23 (1)
Weight, g/mol:	424.066383
ΔH_f, kcal/mol:	-50.19
Dipole, Da:	5.05
IP(EA), eV:	-8.92(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(2-methylpyridin-3-yl)oxy-N-(2H-1,4-oxazin-3-yl)-4,5-dihydrothieno[3,4-g][1,2]benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1CCC2=CSN=C2)C(=O)NCCCO)OC3=C(N=CC=C3)C

DOS

IR

Vibrations