Geometry & MOs

Info

ID:	191710
PubChem CID:	78180068
Reduced:	SCl3N4H13C18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	420.08116
ΔH_f, kcal/mol:	119.11
Dipole, Da:	2.03
IP(EA), eV:	-9.07(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-amino-6-methylidene-1,2,4-triazin-5-ylidene)-1-(4-chlorophenyl)sulfanylethyl]naphthalen-2-ol

Drug info:

PubChemData

Smile

C=C1C(=CC(C2=C(C=C(C=C2)Cl)Cl)SC3=CC=C(C=C3)Cl)N=C(N=N1)N

DOS

IR

Vibrations