Geometry & MOs

Info

ID:	306670
PubChem CID:	125165250
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	348.114378
ΔH_f, kcal/mol:	-108.85
Dipole, Da:	3.11
IP(EA), eV:	-8.62(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(1,3-benzodioxol-5-yloxy)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC1=CSC(=N1)C(C)C)OC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations