Geometry & MOs

Info

ID:	35114
PubChem CID:	7979335
Reduced:	ClS2N3O4C16H18 (1)
Stoich.:	AB2C3D4E16F18 (1)
Weight, g/mol:	319.087829
ΔH_f, kcal/mol:	-99.03
Dipole, Da:	5.19
IP(EA), eV:	-9.5(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NNC(=O)C2=CC=CS2)Cl

DOS

IR

Vibrations