Geometry & MOs

Info

ID:	224878
PubChem CID:	85548096
Reduced:	O4C41H74 (1)
Stoich.:	A4B41C74 (1)
Weight, g/mol:	272.995192
ΔH_f, kcal/mol:	-311.48
Dipole, Da:	2.34
IP(EA), eV:	-9.48(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propan-2-ylsulfanyl-1lambda6,4,2-benzodithiazine 1,1-dioxide

Drug info:

PubChemData

Smile

CCCCCCCCCCCC1=CCC(=C(C1)C(=O)OCCCCCCCCCCC)C(=O)OCCCCCCCCCCC

DOS

IR

Vibrations