Geometry & MOs

Info

ID:	447346
PubChem CID:	135282157
Reduced:	FON2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	412.172225
ΔH_f, kcal/mol:	-19.52
Dipole, Da:	8.53
IP(EA), eV:	-8.52(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-2,4-dimethyl-5-[6-(2-methylpyrimidin-4-yl)-2-(trifluoromethyl)pyridin-3-yl]oxypentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1=NC=C/C(=C/2\C=CC(=O)C(=C2)F)/N1

DOS

IR

Vibrations