Geometry & MOs

Info

ID:	35111
PubChem CID:	7979326
Reduced:	ClNO3C17H18 (1)
Stoich.:	ABC3D17E18 (1)
Weight, g/mol:	319.087829
ΔH_f, kcal/mol:	-93.4
Dipole, Da:	5.61
IP(EA), eV:	-8.46(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxopropyl (3S,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1O[C@@H](C)C(=O)NC2=CC(=C(C=C2)OC)Cl

DOS

IR

Vibrations