Geometry & MOs

Info

ID:	34848
PubChem CID:	7979007
Reduced:	OSCl2N3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	401.109707
ΔH_f, kcal/mol:	33.15
Dipole, Da:	4.67
IP(EA), eV:	-8.73(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-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

CN(C(=S)NCC1=CC=CC=C1)NC(=O)/C=C/C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations