Geometry & MOs

Info

ID:	143896
PubChem CID:	53277225
Reduced:	SN2O5H16C18 (1)
Stoich.:	AB2C5D16E18 (1)
Weight, g/mol:	381.102137
ΔH_f, kcal/mol:	-134.02
Dipole, Da:	3.04
IP(EA), eV:	-9.59(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2-oxo-2-(5-oxo-3-phenyl-2H-oxadiazol-3-ium-4-yl)ethyl]sulfanyl-6-propan-2-ylpyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1COCCN1C(=O)C2=CC3=C(C=C2)C(=O)N(S3(=O)=O)C4=CC=CC=C4

DOS

IR

Vibrations