Geometry & MOs

Info

ID:	67585
PubChem CID:	46506769
Reduced:	ClO2N6H19C21 (1)
Stoich.:	AB2C6D19E21 (1)
Weight, g/mol:	562.134462
ΔH_f, kcal/mol:	25.16
Dipole, Da:	10.48
IP(EA), eV:	-8.96(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-2-[6-[(2-methylphenyl)methyl]-5,5-dioxopyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CNC(=O)CCCC2=NN=C3N2C=CN(C3=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations