Geometry & MOs

Info

ID:	173070
PubChem CID:	75592641
Reduced:	N2S2O3C19H28 (1)
Stoich.:	A2B2C3D19E28 (1)
Weight, g/mol:	363.140533
ΔH_f, kcal/mol:	-128.71
Dipole, Da:	5.3
IP(EA), eV:	-9.25(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1-hydroxy-4-methylsulfanylbutan-2-yl)-5-phenylimidazol-4-yl]benzonitrile

Drug info:

PubChemData

Smile

CN(CC1=CSC(=N1)C23CC4CC(C2)CC(C4)C3)C5CS(=O)(=O)CC5O

DOS

IR

Vibrations