Geometry & MOs

Info

ID:	1395
PubChem CID:	4312
Reduced:	NPC6O8H10 (1)
Stoich.:	ABC6D8E10 (1)
Weight, g/mol:	255.014403
ΔH_f, kcal/mol:	-413.91
Dipole, Da:	5.79
IP(EA), eV:	-11.31(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-phosphonoacetyl)amino]butanedioic acid

Drug info:

PubChemData

Smile

C(C(C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O

DOS

IR

Vibrations