Geometry & MOs

Info

ID:	125011
PubChem CID:	50907273
Reduced:	SO4H20C24 (1)
Stoich.:	AB4C20D24 (1)
Weight, g/mol:	422.098808
ΔH_f, kcal/mol:	-50.32
Dipole, Da:	4.69
IP(EA), eV:	-8.55(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-fluorophenyl)-1-benzothiophen-2-yl]-(3,4,5-trimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C3=CC=CC=C3S2)C4=CC=CC=C4

DOS

IR

Vibrations