Geometry & MOs

Info

ID:	228907
PubChem CID:	87566184
Reduced:	P3C15O23H31 (1)
Stoich.:	A3B15C23D31 (1)
Weight, g/mol:	236.061949
ΔH_f, kcal/mol:	-1177.74
Dipole, Da:	8.58
IP(EA), eV:	-10.16(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methoxy-N,2-dimethyl-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

C([C@H]([C@H](C=O)O)O)OP(=O)(O)OCC(=O)[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O.C([C@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O

DOS

IR

Vibrations