Geometry & MOs

Info

ID:	150440
PubChem CID:	53790130
Reduced:	BrIN4H12C19 (1)
Stoich.:	ABC4D12E19 (1)
Weight, g/mol:	491.92722
ΔH_f, kcal/mol:	139.27
Dipole, Da:	6.26
IP(EA), eV:	-9.44(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(N-benzyl-2,4-dibromoanilino)propanoyl]oxyphosphonamidic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C2=CC(=NC3=NC=NC(=C23)N)C4=CC=C(C=C4)I

DOS

IR

Vibrations