Geometry & MOs

Info

ID:	67626
PubChem CID:	46506844
Reduced:	ClS2N3O6H22C26 (1)
Stoich.:	AB2C3D6E22F26 (1)
Weight, g/mol:	566.084925
ΔH_f, kcal/mol:	-147.22
Dipole, Da:	8.24
IP(EA), eV:	-8.84(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-2-[6-[(4-methylphenyl)methyl]-5,5-dioxopyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)C2=CN=C(NC2=O)SCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)Cl

DOS

IR

Vibrations