Geometry & MOs

Info

ID:	263085
PubChem CID:	103339124
Reduced:	N2O5C13H16 (1)
Stoich.:	A2B5C13D16 (1)
Weight, g/mol:	314.093643
ΔH_f, kcal/mol:	-80.98
Dipole, Da:	7.27
IP(EA), eV:	-9.56(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxyethyl(prop-2-enyl)amino]-5-sulfamoylbenzoic acid

Drug info:

PubChemData

Smile

COCCN(CC=C)C1=CC=CC(=C1[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations