Geometry & MOs

Info

ID:	67567
PubChem CID:	46506733
Reduced:	FSN2O2H10C13 (2)
Stoich.:	ABC2D2E10F13 (2)
Weight, g/mol:	550.114476
ΔH_f, kcal/mol:	-132.0
Dipole, Da:	4.67
IP(EA), eV:	-8.94(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CN2C3=CC=CC=C3C4=NC(=NC=C4S2(=O)=O)SCC(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations