Geometry & MOs

Info

ID:	59383
PubChem CID:	24847187
Reduced:	ClSN5O5C22H28 (1)
Stoich.:	ABC5D5E22F28 (1)
Weight, g/mol:	255.046633
ΔH_f, kcal/mol:	-157.68
Dipole, Da:	5.47
IP(EA), eV:	-9.02(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCN2C(=O)N3C(=N2)CCSC4=C3C=CC(=C4)Cl.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations