Geometry & MOs

Info

ID:	204758
PubChem CID:	80003880
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	323.076219
ΔH_f, kcal/mol:	-80.38
Dipole, Da:	1.19
IP(EA), eV:	-9.33(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=CC=CC=C1)C(=O)C2CCC(O2)CN

DOS

IR

Vibrations