Geometry & MOs

Info

ID:	67492
PubChem CID:	46506572
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	485.140927
ΔH_f, kcal/mol:	1.81
Dipole, Da:	2.35
IP(EA), eV:	-8.81(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[(3-methoxyphenyl)methyl]-4-(4-methylphenyl)-5,5-dioxo-4H-pyrano[3,2-c][2,1]benzothiazine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC=C(C2=C1OC(=NC3=CC=C(C=C3)C(C)C)C(=C2)C(=S)N)CO

DOS

IR

Vibrations