Geometry & MOs

Info

ID:	54507
PubChem CID:	17388791
Reduced:	S3N6O6C28H48 (1)
Stoich.:	A3B6C6D28E48 (1)
Weight, g/mol:	310.117824
ΔH_f, kcal/mol:	-212.95
Dipole, Da:	3.15
IP(EA), eV:	-8.6(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N'-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-1,2,5-oxadiazole-3-carboximidamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)CSCCN=C(N)N.CCCCOC1=CC=C(C=C1)CSCCN=C(N)N.OS(=O)(=O)O

DOS

IR

Vibrations