Geometry & MOs

Info

ID:	393083
PubChem CID:	135019309
Reduced:	SN2H22C25 (1)
Stoich.:	AB2C22D25 (1)
Weight, g/mol:	442.171499
ΔH_f, kcal/mol:	107.62
Dipole, Da:	3.28
IP(EA), eV:	-8.76(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-N-benzyl-1-benzylidene-8,9-dimethoxy-6,10b-dihydro-5H-[1,3]thiazolo[4,3-a]isoquinolin-3-imine

Drug info:

PubChemData

Smile

C1CN2C(C3=CC=CC=C31)/C(=C/C4=CC=CC=C4)/SC2=NCC5=CC=CC=C5

DOS

IR

Vibrations