Geometry & MOs

Info

ID:	229893
PubChem CID:	87569457
Reduced:	N3O3H21C23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	392.179792
ΔH_f, kcal/mol:	23.63
Dipole, Da:	4.62
IP(EA), eV:	-8.6(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-2-amino-3-hydroxy-3-phosphonopropanoic acid;2-(dimethylamino)acetic acid;2-hydroxyethyl(trimethyl)azanium

Drug info:

PubChemData

Smile

C1CC1NC(=O)C(=CC2=CC=C(C=C2)/C=C/C(=O)NO)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations