Geometry & MOs

Info

ID:	227732
PubChem CID:	87562329
Reduced:	NP2S2C88H181 (1)
Stoich.:	AB2C2D88E181 (1)
Weight, g/mol:	131.058243
ΔH_f, kcal/mol:	-539.98
Dipole, Da:	9.06
IP(EA), eV:	-8.66(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylazaniumyl)-3-oxobutanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCP(=S)(CCCCCCCCCCCCCCCCCCCCCC)NP(=S)(CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC

DOS

IR

Vibrations