Geometry & MOs

Info

ID:	39716
PubChem CID:	8142029
Reduced:	SN2O2C18H22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	330.140199
ΔH_f, kcal/mol:	-58.75
Dipole, Da:	4.14
IP(EA), eV:	-8.54(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylphenoxy)-N-[(6S)-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