Geometry & MOs

Info

ID:	294633
PubChem CID:	117475909
Reduced:	SN3O4C12H13 (1)
Stoich.:	AB3C4D12E13 (1)
Weight, g/mol:	295.141973
ΔH_f, kcal/mol:	-78.92
Dipole, Da:	2.56
IP(EA), eV:	-8.82(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-2-[2-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]acetate

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=C(C3=C(C=C2)OCO3)S(=O)(=O)C)N

DOS

IR

Vibrations