Geometry & MOs

Info

ID:	34757
PubChem CID:	7978905
Reduced:	N2O3C24H34 (1)
Stoich.:	A2B3C24D34 (1)
Weight, g/mol:	401.109707
ΔH_f, kcal/mol:	-134.72
Dipole, Da:	1.55
IP(EA), eV:	-8.92(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenoxy)ethyl (3R,7aR)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NNC(=O)CC23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations