Geometry & MOs

Info

ID:	447437
PubChem CID:	135282868
Reduced:	BrFCl2N3O3H19C24 (1)
Stoich.:	ABC2D3E3F19G24 (1)
Weight, g/mol:	372.216141
ΔH_f, kcal/mol:	-106.05
Dipole, Da:	3.76
IP(EA), eV:	-9.95(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[6-[(2S)-2-amino-2,4-dimethylpentoxy]-4-methylpyridin-3-yl]pyridin-2-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

C[C@H](COC1(C2=C(C=C(C=C2F)Br)C(=O)N1CC3=NC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations