Geometry & MOs

Info

ID:	228647
PubChem CID:	87565475
Reduced:	ClINSF3O4H10C12 (1)
Stoich.:	ABCDE3F4G10H12 (1)
Weight, g/mol:	312.142032
ΔH_f, kcal/mol:	-252.28
Dipole, Da:	11.15
IP(EA), eV:	-10.32(-2.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-3-hydroxybutanedioic acid;2-(2-hydroxypropoxy)propan-1-ol

Drug info:

PubChemData

Smile

COS(=O)(=O)[O-].C1=CC2=C(C=C[N+](=C2C=C1C(F)(F)F)CI)Cl

DOS

IR

Vibrations