Geometry & MOs

Info

ID:	67478
PubChem CID:	46506549
Reduced:	SN3O5H17C22 (1)
Stoich.:	AB3C5D17E22 (1)
Weight, g/mol:	408.114378
ΔH_f, kcal/mol:	-37.54
Dipole, Da:	5.45
IP(EA), eV:	-9.16(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[(furan-2-ylmethylamino)methylidene]-1-[(4-methylphenyl)methyl]-2,2-dioxo-2lambda6,1-benzothiazin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=O)/C(=C/NC4=CC=C(C=C4)[N+](=O)[O-])/S2(=O)=O

DOS

IR

Vibrations