Geometry & MOs

Info

ID:	34918
PubChem CID:	7979086
Reduced:	SN2O4C21H28 (1)
Stoich.:	AB2C4D21E28 (1)
Weight, g/mol:	416.086449
ΔH_f, kcal/mol:	-168.86
Dipole, Da:	4.33
IP(EA), eV:	-8.98(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)C(=O)COC(=O)[C@H]1CS[C@]2(N1C(=O)CC2)C3=CC=CC=C3

DOS

IR

Vibrations