Geometry & MOs

Info

ID:	447400
PubChem CID:	135282600
Reduced:	BrNF2O3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	379.170748
ΔH_f, kcal/mol:	-212.96
Dipole, Da:	5.87
IP(EA), eV:	-9.22(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2,5-difluoro-4-(6-methylpyrimidin-4-yl)phenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C[C@@H](CC(C)NC(=O)O)COC1=C(C=C(C=C1F)Br)F

DOS

IR

Vibrations