Geometry & MOs

Info

ID:	149942
PubChem CID:	53789624
Reduced:	O3C22H34 (1)
Stoich.:	A3B22C34 (1)
Weight, g/mol:	318.061688
ΔH_f, kcal/mol:	-150.92
Dipole, Da:	0.92
IP(EA), eV:	-8.44(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[5-nitro-2-(2-phosphonoethyl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)C(C)(C)C1=CC(=CC(=C1O)C(C)(C)C(C)C)OC(=O)C(=C)C

DOS

IR

Vibrations