Geometry & MOs

Info

ID:	35201
PubChem CID:	7979477
Reduced:	SN2O4C22H22 (1)
Stoich.:	AB2C4D22E22 (1)
Weight, g/mol:	414.104956
ΔH_f, kcal/mol:	-121.58
Dipole, Da:	3.87
IP(EA), eV:	-9.35(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluoroanilino)-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

C1C[C@@]2(N(C1=O)[C@H](CS2)C(=O)OCC(=O)NCC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations