Geometry & MOs

Info

ID:	222374
PubChem CID:	85297289
Reduced:	NSO8C18H23 (1)
Stoich.:	ABC8D18E23 (1)
Weight, g/mol:	413.119798
ΔH_f, kcal/mol:	-246.14
Dipole, Da:	4.38
IP(EA), eV:	-8.79(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzylidene-2-[1-(6-methoxynaphthalen-2-yl)ethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Drug info:

PubChemData

Smile

CC1(OCC(O1)C2C3C(C(O2)OSC4=CC=CC=C4[N+](=O)[O-])OC(O3)(C)C)C

DOS

IR

Vibrations