Geometry & MOs

Info

ID:	169098
PubChem CID:	75063511
Reduced:	S2O4N5H13C15 (1)
Stoich.:	A2B4C5D13E15 (1)
Weight, g/mol:	353.071324
ΔH_f, kcal/mol:	-73.62
Dipole, Da:	2.93
IP(EA), eV:	-8.82(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]azanium;chloride

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C3C(=NC(=S)N=C3O2)[O-])C4C(NC(=S)NC4=O)O.[NH4+]

DOS

IR

Vibrations