Geometry & MOs

Info

ID:	35104
PubChem CID:	7979318
Reduced:	SN2O4H18C20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	302.072513
ΔH_f, kcal/mol:	-51.91
Dipole, Da:	2.75
IP(EA), eV:	-8.77(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)NNC(=O)C2=CC=CS2)OCC3=CC=CC=C3

DOS

IR

Vibrations