Geometry & MOs

Info

ID:	28031
PubChem CID:	825166
Reduced:	ClSN2O3H11C16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	280.073559
ΔH_f, kcal/mol:	-52.55
Dipole, Da:	7.75
IP(EA), eV:	-9.22(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxochromen-4-yl) 4-methylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O

DOS

IR

Vibrations