Geometry & MOs

Info

ID:	312410
PubChem CID:	126604727
Reduced:	O2S2N4C25H28 (1)
Stoich.:	A2B2C4D25E28 (1)
Weight, g/mol:	439.138819
ΔH_f, kcal/mol:	11.59
Dipole, Da:	10.51
IP(EA), eV:	-8.68(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(6,7-dimethyl-5,7-dihydro-4H-thiopyrano[4,3-g][1,2]benzothiazol-9-yl)oxy]pyridin-2-yl]-piperidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)CNC(=O)/C(=C/2\CC/C(=C/N)/C(=S)C2=C)/SC(C)OC3=C(N=CC=C3)C

DOS

IR

Vibrations