Geometry & MOs

Info

ID:	53547
PubChem CID:	14716582
Reduced:	ClNSO4H22C23 (1)
Stoich.:	ABCD4E22F23 (1)
Weight, g/mol:	588.184956
ΔH_f, kcal/mol:	118.21
Dipole, Da:	13.41
IP(EA), eV:	-8.2(-3.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4-bis[(1E,3E)-4-[4-(dimethylamino)phenyl]buta-1,3-dienyl]thiochromen-1-yl] perchlorate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)/C=C/C=C/C=C/C2=CC=S(C3=CC=CC=C23)OCl(=O)(=O)=O

DOS

IR

Vibrations