Geometry & MOs

Info

ID:	53546
PubChem CID:	14716580
Reduced:	ClNSO4H18C19 (1)
Stoich.:	ABCD4E18F19 (1)
Weight, g/mol:	443.095807
ΔH_f, kcal/mol:	92.55
Dipole, Da:	12.29
IP(EA), eV:	-8.36(-3.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(1E,3E,5E)-6-[4-(dimethylamino)phenyl]hexa-1,3,5-trienyl]thiochromen-1-yl] perchlorate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations