Geometry & MOs

Info

ID:	285482
PubChem CID:	104109280
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	312.114378
ΔH_f, kcal/mol:	-88.18
Dipole, Da:	6.07
IP(EA), eV:	-10.08(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxypentan-2-yl)-1-methyl-2-oxo-3H-indole-5-sulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations