Geometry & MOs

Info

ID:	39717
PubChem CID:	8142030
Reduced:	SN2O2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	-59.76
Dipole, Da:	3.9
IP(EA), eV:	-8.56(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenoxy)-N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=N2)NC(=O)COC3=CC(=C(C=C3)C)C

DOS

IR

Vibrations