Geometry & MOs

Info

ID:	35153
PubChem CID:	7979392
Reduced:	SCl2N2O2H10C14 (1)
Stoich.:	AB2C2D2E10F14 (1)
Weight, g/mol:	399.094057
ΔH_f, kcal/mol:	-5.08
Dipole, Da:	3.15
IP(EA), eV:	-9.58(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-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

C1=CSC(=C1)C(=O)NNC(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations