Geometry & MOs

Info

ID:	43947
PubChem CID:	10322267
Reduced:	NO2S2C26H43 (1)
Stoich.:	AB2C2D26E43 (1)
Weight, g/mol:	466.15157
ΔH_f, kcal/mol:	-149.77
Dipole, Da:	2.32
IP(EA), eV:	-9.4(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[3,4-bis(difluoromethoxy)phenyl]-2-[6-(2-hydroxypropan-2-yl)pyridin-3-yl]ethyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCCSC(=O)NC(=O)SC1=C(C=CC=C1C(C)C)C(C)C

DOS

IR

Vibrations