Geometry & MOs

Info

ID:	59841
PubChem CID:	24899439
Reduced:	ClSN2O4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	408.127441
ΔH_f, kcal/mol:	-131.59
Dipole, Da:	4.21
IP(EA), eV:	-8.73(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]-5-chloro-2-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(SC(=NC(=O)C2=C(C=CC(=C2)Cl)OC)N1C[C@H]3CCCO3)C(=O)C

DOS

IR

Vibrations