Geometry & MOs

Info

ID:	124186
PubChem CID:	50873985
Reduced:	SN2O5C13H16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	250.095357
ΔH_f, kcal/mol:	-191.58
Dipole, Da:	8.04
IP(EA), eV:	-9.45(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations