Geometry & MOs

Info

ID:	193131
PubChem CID:	78349145
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	567.08274
ΔH_f, kcal/mol:	5.77
Dipole, Da:	4.88
IP(EA), eV:	-8.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-5-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-6-hydroxy-3-phenyl-2-sulfanylidene-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCCC1CC(=O)NC(N1)NN=C(C)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations