Geometry & MOs

Info

ID:	207132
PubChem CID:	80351864
Reduced:	O3N4C12H18 (1)
Stoich.:	A3B4C12D18 (1)
Weight, g/mol:	298.098728
ΔH_f, kcal/mol:	-93.47
Dipole, Da:	3.26
IP(EA), eV:	-8.77(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(2-aminophenyl)sulfonyl-4-methylpyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=C(C=N1)N)C(=O)N2CCC(C2)C(=O)OC

DOS

IR

Vibrations