Geometry & MOs

Info

ID:	221163
PubChem CID:	85257095
Reduced:	SO2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	289.150036
ΔH_f, kcal/mol:	-18.03
Dipole, Da:	8.31
IP(EA), eV:	-9.29(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[2-(3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-1-yl)-1-phenylethyl] ethanethioate

Drug info:

PubChemData

Smile

CCOCC1=NC(=O)C2C(=N1)C3=C(S2)N=C(C=C3C)C

DOS

IR

Vibrations