Geometry & MOs

Info

ID:	128691
PubChem CID:	51054222
Reduced:	SO2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	375.114044
ΔH_f, kcal/mol:	-9.07
Dipole, Da:	4.71
IP(EA), eV:	-9.19(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-(thiomorpholin-4-ylmethyl)pyran-4-one

Drug info:

PubChemData

Smile

CCCC1=C(SC(=N1)N2C=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations