Geometry & MOs

Info

ID:	401846
PubChem CID:	135052938
Reduced:	ClO7H11C16 (1)
Stoich.:	AB7C11D16 (1)
Weight, g/mol:	298.066365
ΔH_f, kcal/mol:	-24.38
Dipole, Da:	6.87
IP(EA), eV:	-9.28(-4.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methoxy-2-(4-methoxyphenyl)chromene-4-thione

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=[O+]C4=CC=CC=C4C=C3.[O-]Cl(=O)(=O)=O

DOS

IR

Vibrations