Geometry & MOs

Info

ID:	58660
PubChem CID:	24712423
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	310.054277
ΔH_f, kcal/mol:	-80.44
Dipole, Da:	4.38
IP(EA), eV:	-9.22(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorophenoxy)methyl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCC2=NC(=CS2)C(=O)NCC3CCCO3

DOS

IR

Vibrations