Geometry & MOs

Info

ID:	57502
PubChem CID:	22396109
Reduced:	SCl2N2O7C15H16 (1)
Stoich.:	AB2C2D7E15F16 (1)
Weight, g/mol:	289.153875
ΔH_f, kcal/mol:	-286.26
Dipole, Da:	6.42
IP(EA), eV:	-10.25(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-amino-5-oxo-5-(3-oxo-1,2-dihydroisoindol-4-yl)pentyl]guanidine

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)NC(CC(=O)O)C(=O)O

DOS

IR

Vibrations