Geometry & MOs

Info

ID:	343260
PubChem CID:	127266433
Reduced:	SCl2O2N4C20H28 (1)
Stoich.:	AB2C2D4E20F28 (1)
Weight, g/mol:	519.00843
ΔH_f, kcal/mol:	-84.4
Dipole, Da:	11.95
IP(EA), eV:	-8.16(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromophenyl)-2-(4-methoxyphenyl)-6-methylchromen-4-imine;perchloric acid

Drug info:

PubChemData

Smile

CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOC(=O)C34CCC(C3)CC4.Cl.[Cl-]

DOS

IR

Vibrations