Geometry & MOs

Info

ID:	35155
PubChem CID:	7979394
Reduced:	ClS2N3O3C17H18 (1)
Stoich.:	AB2C3D3E17F18 (1)
Weight, g/mol:	399.094057
ΔH_f, kcal/mol:	-64.01
Dipole, Da:	2.57
IP(EA), eV:	-8.67(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluorophenyl)-2-oxoethyl] (3S,7aS)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CSCC[C@@H](C(=O)NNC(=O)C1=CC=CS1)NC(=O)C2=CC=CC=C2Cl

DOS

IR

Vibrations