Geometry & MOs

Info

ID:	146128
PubChem CID:	53640564
Reduced:	O2C19H26 (1)
Stoich.:	A2B19C26 (1)
Weight, g/mol:	499.214092
ΔH_f, kcal/mol:	28.99
Dipole, Da:	3.11
IP(EA), eV:	-8.63(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-methyl-3-(pyridin-2-ylcarbamoyl)-1,2-benzothiazin-4-yl]oxy]ethyl octyl carbonate

Drug info:

PubChemData

Smile

CCCC(C=CC=CC=CC#CC#CCCCOC)OC

DOS

IR

Vibrations