Geometry & MOs

Info

ID:	175093
PubChem CID:	75855044
Reduced:	ClON4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	413.093309
ΔH_f, kcal/mol:	14.94
Dipole, Da:	4.0
IP(EA), eV:	-9.68(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-ethyl-4-methyl-2-oxochromen-7-yl) 2-(4-nitrophenyl)sulfanylpropanoate

Drug info:

PubChemData

Smile

CCCCNC(=O)C(=CC1=CN(N=C1)CCCl)C#N

DOS

IR

Vibrations