Geometry & MOs

Info

ID:	375654
PubChem CID:	134220549
Reduced:	ClON3C14H22 (1)
Stoich.:	ABC3D14E22 (1)
Weight, g/mol:	344.035459
ΔH_f, kcal/mol:	-55.43
Dipole, Da:	1.32
IP(EA), eV:	-8.96(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1,4-trioxo-3-phenylthiochromen-2-yl)methyl hydrogen carbonate

Drug info:

PubChemData

Smile

CC(C)N1C(=CN=C1CCC(=O)N2CCCCC2)Cl

DOS

IR

Vibrations