Geometry & MOs

Info

ID:	34898
PubChem CID:	7979066
Reduced:	SO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	-15.55
Dipole, Da:	8.42
IP(EA), eV:	-8.45(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NN(C)C(=S)NCC2=CC=CC=C2

DOS

IR

Vibrations