Geometry & MOs

Info

ID:	278434
PubChem CID:	103835688
Reduced:	N2S2O5C12H18 (1)
Stoich.:	A2B2C5D12E18 (1)
Weight, g/mol:	315.071134
ΔH_f, kcal/mol:	-122.91
Dipole, Da:	10.8
IP(EA), eV:	-9.12(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

CC(CNS(=O)(=O)CC1=CC=C(C=C1)[N+](=O)[O-])(CSC)O

DOS

IR

Vibrations