Geometry & MOs

Info

ID:	40779
PubChem CID:	8144689
Reduced:	SN3O4C15H19 (1)
Stoich.:	AB3C4D15E19 (1)
Weight, g/mol:	413.168108
ΔH_f, kcal/mol:	-81.92
Dipole, Da:	5.18
IP(EA), eV:	-8.83(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-butyl-N,N-dimethyl-3-(morpholin-4-ium-4-ylmethyl)-2-sulfanylidenebenzimidazole-5-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=NN(C(=S)O2)CN3CCOCC3)OC

DOS

IR

Vibrations