Geometry & MOs

Info

ID:	227884
PubChem CID:	87562847
Reduced:	NO5C28H43 (1)
Stoich.:	AB5C28D43 (1)
Weight, g/mol:	300.068097
ΔH_f, kcal/mol:	-125.94
Dipole, Da:	3.55
IP(EA), eV:	-8.46(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-amino-1,3-benzothiazol-6-yl)pyridin-3-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](C2(C1)OOC3(CCC(CC3)C4=CC(=C(C=C4)O)CN5CCCCC5)OO2)C(C)C

DOS

IR

Vibrations