Geometry & MOs

Info

ID:	427508
PubChem CID:	135159471
Reduced:	NOSH7C11 (1)
Stoich.:	ABCD7E11 (1)
Weight, g/mol:	377.123821
ΔH_f, kcal/mol:	36.3
Dipole, Da:	1.46
IP(EA), eV:	-8.72(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[naphthalen-1-yl(naphthalen-2-yl)amino]benzenethiol

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)S)OC3=C2N=CC=C3

DOS

IR

Vibrations