Geometry & MOs

Info

ID:	447330
PubChem CID:	135282071
Reduced:	FNO2C7H14 (1)
Stoich.:	ABC2D7E14 (1)
Weight, g/mol:	417.24277
ΔH_f, kcal/mol:	-159.1
Dipole, Da:	3.24
IP(EA), eV:	-9.91(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[(4S)-5-[2-fluoro-4-(2-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(CC(C)(CF)N)C(=O)O

DOS

IR

Vibrations