Geometry & MOs

Info

ID:	173514
PubChem CID:	75647359
Reduced:	N2O2S2H13C18 (1)
Stoich.:	A2B2C2D13E18 (1)
Weight, g/mol:	336.109664
ΔH_f, kcal/mol:	21.11
Dipole, Da:	1.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.107384
Charge, e:	-1

Chem-info

IUPAC name:

[C-(4-amino-1,2,5-oxadiazol-3-yl)-N-benzoyloxycarbonimidoyl]-(4-methylphenyl)azanide

Drug info:

PubChemData

Smile

C1C(C(C(=O)S1)C2=CC=CC=N2)C3=CC(=C(S3)[O-])C4=CC=CC=N4

DOS

IR

Vibrations