Geometry & MOs

Info

ID:	393189
PubChem CID:	135019653
Reduced:	SN3O12H15C19 (1)
Stoich.:	AB3C12D15E19 (1)
Weight, g/mol:	347.188529
ΔH_f, kcal/mol:	-191.72
Dipole, Da:	4.91
IP(EA), eV:	-11.01(-3.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S,4S)-2-ethenyl-3,4-bis(phenylmethoxy)-1-prop-2-ynylpyrrolidine

Drug info:

PubChemData

Smile

CS(=O)(=O)OCCCCOC(=O)C1=CC(=CC2=C1C3=C(C2=O)C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations