Geometry & MOs

Info

ID:	174716
PubChem CID:	75806491
Reduced:	N2O5H19C22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	347.187878
ΔH_f, kcal/mol:	-99.58
Dipole, Da:	11.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.864089
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2CC(=O)NC3=C2N(C=C3C(=O)[O-])C4=CC(=CC=C4)OC

DOS

IR

Vibrations