Geometry & MOs

Info

ID:	176119
PubChem CID:	75998902
Reduced:	SO2N5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	410.090958
ΔH_f, kcal/mol:	31.47
Dipole, Da:	9.18
IP(EA), eV:	-8.79(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-[3-(dimethylamino)oxadiazol-3-ium-5-yl]ethanimidate

Drug info:

PubChemData

Smile

CC[N+]1=NOC(=C1)N=C(CSC2=NC(=CC(=N2)C)C)[O-]

DOS

IR

Vibrations