Geometry & MOs

Info

ID:	35151
PubChem CID:	7979390
Reduced:	S2N3O4C18H23 (1)
Stoich.:	A2B3C4D18E23 (1)
Weight, g/mol:	399.094057
ΔH_f, kcal/mol:	-111.92
Dipole, Da:	6.66
IP(EA), eV:	-9.49(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluorophenyl)-2-oxoethyl] (3R,7aS)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC(C)C)C(=O)NNC(=O)C2=CC=CS2

DOS

IR

Vibrations