Geometry & MOs

Info

ID:	35128
PubChem CID:	7979354
Reduced:	SN2O2C12H16 (1)
Stoich.:	AB2C2D12E16 (1)
Weight, g/mol:	387.069592
ΔH_f, kcal/mol:	-52.11
Dipole, Da:	0.48
IP(EA), eV:	-9.1(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-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

C1CCC(C1)CC(=O)NNC(=O)C2=CC=CS2

DOS

IR

Vibrations