Geometry & MOs

Info

ID:	33061
PubChem CID:	7850509
Reduced:	ClSN2O3H17C21 (1)
Stoich.:	ABC2D3E17F21 (1)
Weight, g/mol:	372.077993
ΔH_f, kcal/mol:	-36.47
Dipole, Da:	3.79
IP(EA), eV:	-9.22(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-2-oxooxolan-3-yl] (E)-3-[2-(N-acetylanilino)-1,3-thiazol-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)N(C1=CC=CC=C1)C2=NC(=CS2)/C=C/C(=O)OCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations