Geometry & MOs

Info

ID:	227641
PubChem CID:	87562150
Reduced:	NO9C15H17 (1)
Stoich.:	AB9C15D17 (1)
Weight, g/mol:	356.094312
ΔH_f, kcal/mol:	-346.88
Dipole, Da:	4.83
IP(EA), eV:	-10.23(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(5-morpholin-4-ylpyridin-3-yl)-1,3-benzothiazol-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NCC(=O)O[C@@H](C=O)[C@H]([C@@H]([C@@H](C(=O)O)O)O)O

DOS

IR

Vibrations