Geometry & MOs

Info

ID:	35073
PubChem CID:	7979275
Reduced:	SF2N3O4H13C15 (1)
Stoich.:	AB2C3D4E13F15 (1)
Weight, g/mol:	367.124215
ΔH_f, kcal/mol:	-197.45
Dipole, Da:	2.75
IP(EA), eV:	-9.58(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NCC(=O)NNC(=O)C2=CC=CS2)OC(F)F

DOS

IR

Vibrations