Geometry & MOs

Info

ID:	447399
PubChem CID:	135282599
Reduced:	BrNF2O3C13H16 (1)
Stoich.:	ABC2D3E13F16 (1)
Weight, g/mol:	351.02816
ΔH_f, kcal/mol:	-178.68
Dipole, Da:	4.95
IP(EA), eV:	-9.8(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-5-(4-bromo-2,6-difluorophenoxy)-4-methylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)CC(C)N(C(=O)O)OC1=C(C=C(C=C1F)Br)F

DOS

IR

Vibrations