Geometry & MOs

Info

ID:	34759
PubChem CID:	7978907
Reduced:	N3O4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	401.109707
ΔH_f, kcal/mol:	-152.44
Dipole, Da:	1.86
IP(EA), eV:	-9.2(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CC(=O)NNC(=O)CNC(=O)COC4=CC=CC=C4

DOS

IR

Vibrations