Geometry & MOs

Info

ID:	12113
PubChem CID:	130449
Reduced:	SO2N3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	265.088498
ΔH_f, kcal/mol:	-48.7
Dipole, Da:	5.01
IP(EA), eV:	-8.48(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[N-(2-aminophenyl)-C-sulfanylcarbonimidoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=NC2=CC=CC=C2N)S)C(=O)O

DOS

IR

Vibrations