Geometry & MOs

Info

ID:	33414
PubChem CID:	7886339
Reduced:	FOS2N4C20H21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	358.141638
ΔH_f, kcal/mol:	5.01
Dipole, Da:	4.45
IP(EA), eV:	-8.79(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-propan-2-yloxybenzoate

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCC(=O)NCCSCC2=CC=CC=C2)C3=CC=CC=C3F

DOS

IR

Vibrations