Geometry & MOs

Info

ID:	319596
PubChem CID:	126656766
Reduced:	NC14H21 (1)
Stoich.:	AB14C21 (1)
Weight, g/mol:	478.128646
ΔH_f, kcal/mol:	9.74
Dipole, Da:	2.29
IP(EA), eV:	-8.18(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-hydroxy-4,4-dimethyl-3-[6-[(3S)-oxolan-3-yl]oxypyridin-3-yl]-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C(=C)CC1=CC=CC=C1NC

DOS

IR

Vibrations