Geometry & MOs

Info

ID:	231987
PubChem CID:	87575069
Reduced:	SO5C10H16 (1)
Stoich.:	AB5C10D16 (1)
Weight, g/mol:	337.180681
ΔH_f, kcal/mol:	-217.41
Dipole, Da:	7.65
IP(EA), eV:	-10.5(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[3-[(E)-1-diethoxyphosphorylprop-1-enyl]phenyl]methyl]pyrrolidine

Drug info:

PubChemData

Smile

CC1(C2CC[C@@]1(C(=O)C2)COS(=O)(=O)O)C

DOS

IR

Vibrations