Geometry & MOs

Info

ID:	159868
PubChem CID:	57288837
Reduced:	BrSO3N4C17H21 (1)
Stoich.:	ABC3D4E17F21 (1)
Weight, g/mol:	343.096694
ΔH_f, kcal/mol:	-61.01
Dipole, Da:	7.2
IP(EA), eV:	-9.1(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-2-phosphonopentanoic acid

Drug info:

PubChemData

Smile

CCC(C)(COC1=CC(=CC=C1)Br)C2=NN=C(S2)N3C(CN(C3=O)C)O

DOS

IR

Vibrations