Geometry & MOs

Info

ID:	299843
PubChem CID:	117695911
Reduced:	Cl2N2O4H8C9 (1)
Stoich.:	A2B2C4D8E9 (1)
Weight, g/mol:	195.092915
ΔH_f, kcal/mol:	-76.26
Dipole, Da:	7.99
IP(EA), eV:	-9.89(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-aminoheptane-1-sulfonic acid

Drug info:

PubChemData

Smile

COCC(=O)NC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl

DOS

IR

Vibrations