Geometry & MOs

Info

ID:	67539
PubChem CID:	46506673
Reduced:	SN2O4H22C24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	462.124943
ΔH_f, kcal/mol:	-85.6
Dipole, Da:	4.72
IP(EA), eV:	-8.85(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(E)-[1-[(4-methylphenyl)methyl]-2,2,4-trioxo-2lambda6,1-benzothiazin-3-ylidene]methyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C3=CC=CC=C3C(=O)/C(=C/NC4=CC(=CC=C4)OC)/S2(=O)=O

DOS

IR

Vibrations