Geometry & MOs

Info

ID:	161760
PubChem CID:	57392569
Reduced:	ClO2N5H16C21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	446.114772
ΔH_f, kcal/mol:	37.39
Dipole, Da:	3.93
IP(EA), eV:	-8.8(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[[2-methyl-1,1-dioxo-3-(2-pyridin-2-ylacetyl)-1lambda6,2-benzothiazin-4-yl]oxy]ethyl carbonate

Drug info:

PubChemData

Smile

CNC(=O)C1=NC=CC(=C1)OC2=CC3=CN=C(N=C3C=C2)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations