Geometry & MOs

Info

ID:	31128
PubChem CID:	854689
Reduced:	SCl2N4H10C15 (1)
Stoich.:	AB2C4D10E15 (1)
Weight, g/mol:	242.094294
ΔH_f, kcal/mol:	111.27
Dipole, Da:	5.55
IP(EA), eV:	-9.07(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-5-propylfuro[3,2-g]chromen-7-one

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=C[C@H](N3C(=NC=N3)N2)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations