Geometry & MOs

Info

ID:	34825
PubChem CID:	7978975
Reduced:	SN2O3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	378.103814
ΔH_f, kcal/mol:	-44.08
Dipole, Da:	4.27
IP(EA), eV:	-9.26(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@]2(N(C1=O)[C@@H](CS2)C(=O)OCC3=CC(=CC=C3)C#N)C4=CC=CC=C4

DOS

IR

Vibrations