Geometry & MOs

Info

ID:	142191
PubChem CID:	52998242
Reduced:	ClSN2O4C31H35 (1)
Stoich.:	ABC2D4E31F35 (1)
Weight, g/mol:	516.07184
ΔH_f, kcal/mol:	-90.46
Dipole, Da:	6.73
IP(EA), eV:	-8.37(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(diethylamino)-3-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]chromen-2-one;hydrobromide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(CN(CC2=CC=CC=C2)CC3=CC=CC=C3)O)C4=CC=C(C=C4)OC.Cl

DOS

IR

Vibrations