Geometry & MOs

Info

ID:	190837
PubChem CID:	78066606
Reduced:	PN5O7C11H16 (1)
Stoich.:	AB5C7D11E16 (1)
Weight, g/mol:	417.9922
ΔH_f, kcal/mol:	-285.98
Dipole, Da:	4.47
IP(EA), eV:	-9.12(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(3,5-dichloro-6-diethoxyphosphoryloxypyridin-2-yl)sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COCP(=O)(O)O)O)O)N

DOS

IR

Vibrations