Geometry & MOs

Info

ID:	33530
PubChem CID:	7886842
Reduced:	FOS2N3C20H20 (1)
Stoich.:	ABC2D3E20F20 (1)
Weight, g/mol:	398.00151
ΔH_f, kcal/mol:	-25.08
Dipole, Da:	4.33
IP(EA), eV:	-8.83(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)ethanone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCC1=CC=C(C=C1)F)SC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations