Geometry & MOs

Info

ID:	35075
PubChem CID:	7979277
Reduced:	N2O2S3H14C15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	371.099143
ΔH_f, kcal/mol:	2.28
Dipole, Da:	1.5
IP(EA), eV:	-9.0(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CSC(S1)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CS3

DOS

IR

Vibrations