Geometry & MOs

Info

ID:	40115
PubChem CID:	8143587
Reduced:	OSN5C13H17 (1)
Stoich.:	ABC5D13E17 (1)
Weight, g/mol:	397.136808
ΔH_f, kcal/mol:	66.91
Dipole, Da:	1.65
IP(EA), eV:	-8.48(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N,N-diethyl-3-[4-(pyrrolidin-1-ium-1-ylmethyl)-5-sulfanylidene-1,3,4-oxadiazol-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=S)N(N=N2)CN3CCCC3

DOS

IR

Vibrations