Geometry & MOs

Info

ID:	299584
PubChem CID:	117688043
Reduced:	SN6O6C19H28 (1)
Stoich.:	AB6C6D19E28 (1)
Weight, g/mol:	469.186929
ΔH_f, kcal/mol:	-112.12
Dipole, Da:	2.58
IP(EA), eV:	-9.73(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(3R,4S)-1-carboxy-4-[3-methylbutyl-(4-nitrophenyl)sulfonylamino]pyrrolidin-3-yl]propylimino-iminoazanium

Drug info:

PubChemData

Smile

CC(C)CCC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)N[C@@H]2CN(C[C@H]2CCCN=[N+]=[N-])C(=O)O

DOS

IR

Vibrations