Geometry & MOs

Info

ID:	147046
PubChem CID:	53786523
Reduced:	SN2O2C5H8 (1)
Stoich.:	AB2C2D5E8 (1)
Weight, g/mol:	388.056775
ΔH_f, kcal/mol:	-64.26
Dipole, Da:	3.92
IP(EA), eV:	-9.24(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]-2-methylprop-2-enyl]imidazole

Drug info:

PubChemData

Smile

C(CSCC#N)OC(=O)N

DOS

IR

Vibrations