Geometry & MOs

Info

ID:	207062
PubChem CID:	80341706
Reduced:	SO3N4C12H22 (1)
Stoich.:	AB3C4D12E22 (1)
Weight, g/mol:	298.152872
ΔH_f, kcal/mol:	-78.89
Dipole, Da:	5.25
IP(EA), eV:	-9.24(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-methoxycarbonylpyrrolidine-1-carbonyl)piperidin-2-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)CN)S(=O)(=O)N(C)CCOCC2CC2

DOS

IR

Vibrations