Geometry & MOs

Info

ID:	144199
PubChem CID:	53331630
Reduced:	ClSN2O3H15C20 (1)
Stoich.:	ABC2D3E15F20 (1)
Weight, g/mol:	397.091869
ΔH_f, kcal/mol:	-49.09
Dipole, Da:	6.91
IP(EA), eV:	-9.01(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-2-[(4-methylphenyl)methylsulfanyl]pyrimido[5,4-c][2,1]benzothiazine 5,5-dioxide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2C3=C(C(=O)N(C2=O)C4=CC=C(C=C4)Cl)SC=C3

DOS

IR

Vibrations