Geometry & MOs

Info

ID:	228832
PubChem CID:	87565901
Reduced:	NSO4C14H21 (1)
Stoich.:	ABC4D14E21 (1)
Weight, g/mol:	354.152597
ΔH_f, kcal/mol:	-142.81
Dipole, Da:	14.5
IP(EA), eV:	-9.23(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxypropane-1,2,3-tricarboxylic acid;2-(2-hydroxypropoxy)propan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCC(=O)CC1)C

DOS

IR

Vibrations