Geometry & MOs

Info

ID:	39732
PubChem CID:	8142074
Reduced:	OSN2C18H22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	330.140199
ΔH_f, kcal/mol:	-30.94
Dipole, Da:	4.49
IP(EA), eV:	-8.85(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-methylphenoxy)-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=N2)NC(=O)CC3=CC(=C(C=C3)C)C

DOS

IR

Vibrations