Geometry & MOs

Info

ID:	184922
PubChem CID:	77229359
Reduced:	ClN3O7C32H36 (1)
Stoich.:	AB3C7D32E36 (1)
Weight, g/mol:	207.056529
ΔH_f, kcal/mol:	-266.71
Dipole, Da:	5.5
IP(EA), eV:	-8.46(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methylsulfonylpyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC=C1)Cl)CN2C3=C(CCC3)C(=C(C2=O)NC(=O)NC(CC(=O)O)C4=CC(=CC=C4)OC5CCCC5)O

DOS

IR

Vibrations