Geometry & MOs

Info

ID:	35077
PubChem CID:	7979279
Reduced:	SN3O3C12H17 (1)
Stoich.:	AB3C3D12E17 (1)
Weight, g/mol:	371.099143
ΔH_f, kcal/mol:	-98.23
Dipole, Da:	4.24
IP(EA), eV:	-9.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NNC(=O)C1=CC=CS1)NC(=O)C

DOS

IR

Vibrations