Geometry & MOs

Info

ID:	337443
PubChem CID:	127257128
Reduced:	ClOH5C7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	246.082684
ΔH_f, kcal/mol:	-48.21
Dipole, Da:	4.23
IP(EA), eV:	-9.33(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-ethylsulfanylimidazol-1-yl)-1-phenylethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC(=C1Cl)Cl)C(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations