Geometry & MOs

Info

ID:	240797
PubChem CID:	93617619
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	304.088164
ΔH_f, kcal/mol:	-131.25
Dipole, Da:	3.9
IP(EA), eV:	-8.89(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@H]1OCCNC(=O)C2=CC3=C(C=C2)SCC(=O)N3

DOS

IR

Vibrations