Geometry & MOs

Info

ID:	40504
PubChem CID:	8144243
Reduced:	SN5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	276.093249
ΔH_f, kcal/mol:	103.9
Dipole, Da:	4.59
IP(EA), eV:	-8.21(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-methylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations