Geometry & MOs

Info

ID:	34738
PubChem CID:	7978883
Reduced:	SN3O4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	417.080157
ΔH_f, kcal/mol:	-115.12
Dipole, Da:	4.8
IP(EA), eV:	-9.46(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=O)C2=CC(=C(C=C2)C)C

DOS

IR

Vibrations