Geometry & MOs

Info

ID:	34775
PubChem CID:	7978923
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	383.119129
ΔH_f, kcal/mol:	-114.71
Dipole, Da:	2.65
IP(EA), eV:	-8.98(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenoxyethyl (3R,7aR)-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)C4=CC5=C(C=C4)SCC(=O)N5

DOS

IR

Vibrations