Geometry & MOs

Info

ID:	35120
PubChem CID:	7979342
Reduced:	ClN2O2S2H13C17 (1)
Stoich.:	AB2C2D2E13F17 (1)
Weight, g/mol:	387.069592
ΔH_f, kcal/mol:	10.83
Dipole, Da:	2.32
IP(EA), eV:	-8.89(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)SCC(=O)NNC(=O)C3=CC=CS3)C(=CC=C2)Cl

DOS

IR

Vibrations