Geometry & MOs

Info

ID:	48242
PubChem CID:	10538190
Reduced:	NSO2H9C13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	243.046633
ΔH_f, kcal/mol:	26.17
Dipole, Da:	4.91
IP(EA), eV:	-9.19(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenylsulfanyl-2,1,3-benzoxadiazol-7-amine

Drug info:

PubChemData

Smile

C1C2=C(C3C4=CC=CC=C4C(=O)N3O1)SC=C2

DOS

IR

Vibrations