Geometry & MOs

Info

ID:	150414
PubChem CID:	53790104
Reduced:	N7O7C29H43 (1)
Stoich.:	A7B7C29D43 (1)
Weight, g/mol:	169.980267
ΔH_f, kcal/mol:	-282.72
Dipole, Da:	8.79
IP(EA), eV:	-8.93(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-dihydroxyphosphinothioylpropanoic acid

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C=O)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)N)O

DOS

IR

Vibrations