Geometry & MOs

Info

ID:	29998
PubChem CID:	838799
Reduced:	ClSO2H9C14 (1)
Stoich.:	ABC2D9E14 (1)
Weight, g/mol:	345.136493
ΔH_f, kcal/mol:	-10.76
Dipole, Da:	3.42
IP(EA), eV:	-9.19(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[4-(dimethylamino)phenyl]-3-(furan-2-ylmethylidene)chromen-4-one

Drug info:

PubChemData

Smile

C1/C(=C/C2=CC=CS2)/C(=O)C3=C(O1)C=CC(=C3)Cl

DOS

IR

Vibrations