Geometry & MOs

Info

ID:	159195
PubChem CID:	57264359
Reduced:	O5C29H42 (1)
Stoich.:	A5B29C42 (1)
Weight, g/mol:	311.961639
ΔH_f, kcal/mol:	-201.92
Dipole, Da:	6.19
IP(EA), eV:	-8.57(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfanyl-6-chloro-2H-thieno[3,2-e][1,2,4]thiadiazine

Drug info:

PubChemData

Smile

CCCCC=COC1(C(=O)CC2=C(O1)C=CC(=C2)OC(C)(C)C)OCC=C(C)CCC=C(C)C

DOS

IR

Vibrations