Geometry & MOs

Info

ID:	278321
PubChem CID:	103834810
Reduced:	N2S2O5C12H18 (1)
Stoich.:	A2B2C5D12E18 (1)
Weight, g/mol:	304.091535
ΔH_f, kcal/mol:	-119.11
Dipole, Da:	4.65
IP(EA), eV:	-9.01(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-pyridin-4-ylethanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)NCCSCCCO

DOS

IR

Vibrations