Geometry & MOs

Info

ID:	381922
PubChem CID:	134972786
Reduced:	SF3O6H21C23 (1)
Stoich.:	AB3C6D21E23 (1)
Weight, g/mol:	421.210052
ΔH_f, kcal/mol:	-296.97
Dipole, Da:	4.44
IP(EA), eV:	-8.23(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[[3-(4-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]propanedioate

Drug info:

PubChemData

Smile

CC(=C)C1=C(OC=C1C=C)CC2=CC3=C(C=CC(=C3C=C2OS(=O)(=O)C(F)(F)F)OC)OC

DOS

IR

Vibrations