Geometry & MOs

Info

ID:	195004
PubChem CID:	78619645
Reduced:	SN3O3C18H21 (1)
Stoich.:	AB3C3D18E21 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	-22.76
Dipole, Da:	7.78
IP(EA), eV:	-7.98(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-methoxynaphthalen-2-yl)methylideneamino]-3-(oxolan-2-yl)-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)C=NNC(=S)NCC2=CC=CC=C2)OC

DOS

IR

Vibrations