Geometry & MOs

Info

ID:	392954
PubChem CID:	135018688
Reduced:	ClON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	308.050715
ΔH_f, kcal/mol:	7.09
Dipole, Da:	4.25
IP(EA), eV:	-8.58(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(phenylsulfanylmethylidene)furo[3,2-c]chromen-4-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(OC(=C2C#N)N)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations