Geometry & MOs

Info

ID:	222592
PubChem CID:	85305580
Reduced:	NOSiC23H41 (1)
Stoich.:	ABCD23E41 (1)
Weight, g/mol:	376.067167
ΔH_f, kcal/mol:	-94.51
Dipole, Da:	1.77
IP(EA), eV:	-8.68(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-methyl-3-oxo-5-(phosphonooxymethyl)pyridin-4-ylidene]methylamino]pentanedioic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC(C=C)C1CCCCN1CC#CC2CCCCC2

DOS

IR

Vibrations