Geometry & MOs

Info

ID:	35237
PubChem CID:	7979552
Reduced:	NO2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	399.094057
ΔH_f, kcal/mol:	-106.89
Dipole, Da:	2.82
IP(EA), eV:	-8.81(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C(=O)NNC(=O)COC2=CC3=C(CCC3)C=C2

DOS

IR

Vibrations