Geometry & MOs

Info

ID:	278322
PubChem CID:	103834815
Reduced:	N2S2O3C12H20 (1)
Stoich.:	A2B2C3D12E20 (1)
Weight, g/mol:	333.027555
ΔH_f, kcal/mol:	-107.61
Dipole, Da:	3.47
IP(EA), eV:	-8.93(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-hydroxypropylsulfanyl)ethyl]-8lambda4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-2-sulfonamide

Drug info:

PubChemData

Smile

C1=CN=CC=C1CCS(=O)(=O)NCCSCCCO

DOS

IR

Vibrations