Geometry & MOs

Info

ID:	160253
PubChem CID:	57309599
Reduced:	S2N3O7C23H23 (1)
Stoich.:	A2B3C7D23E23 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	-169.25
Dipole, Da:	7.31
IP(EA), eV:	-8.99(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-4-methylphenyl)-5-ethylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1)C(=O)C2=CC3=C(S2)C(C(N(C3)S(=O)(=O)C4=CC=C(C=C4)OC)C(=O)NO)O

DOS

IR

Vibrations