Geometry & MOs

Info

ID:	319609
PubChem CID:	126656781
Reduced:	NC11H20 (2)
Stoich.:	AB11C20 (2)
Weight, g/mol:	451.117747
ΔH_f, kcal/mol:	-10.79
Dipole, Da:	2.91
IP(EA), eV:	-8.23(2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-hydroxy-3-[4-(2-hydroxyethoxy)phenyl]-4,4-dimethyl-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C1CC2CCNC(C2C1)CC(C)(C)N3CCC4CC4C3

DOS

IR

Vibrations