Geometry & MOs

Info

ID:	138957
PubChem CID:	52448727
Reduced:	NO6C12H13 (1)
Stoich.:	AB6C12D13 (1)
Weight, g/mol:	299.119129
ΔH_f, kcal/mol:	-163.06
Dipole, Da:	7.58
IP(EA), eV:	-11.24(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-(diethylsulfamoyl)benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations