Geometry & MOs

Info

ID:	447344
PubChem CID:	135282148
Reduced:	BrNF3O3C15H19 (1)
Stoich.:	ABC3D3E15F19 (1)
Weight, g/mol:	393.156767
ΔH_f, kcal/mol:	-294.94
Dipole, Da:	4.54
IP(EA), eV:	-9.55(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[6-[(2S)-2-amino-2,4-dimethylpentoxy]-5-chloropyridin-3-yl]pyrimidin-4-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=C1)Br)C(F)(F)F)NC(=O)O

DOS

IR

Vibrations