Geometry & MOs

Info

ID:	143976
PubChem CID:	53290179
Reduced:	SN4O5H18C21 (1)
Stoich.:	AB4C5D18E21 (1)
Weight, g/mol:	475.082464
ΔH_f, kcal/mol:	-61.29
Dipole, Da:	7.02
IP(EA), eV:	-8.86(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-amino-4-(furan-2-yl)-6-[2-[3-(4-methoxyphenyl)-5-oxo-2H-oxadiazol-3-ium-4-yl]-2-oxoethyl]sulfanylpyridine-3,5-dicarbonitrile

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(ON=[N+]3C4=CC=C(C=C4)OC)[O-]

DOS

IR

Vibrations