Geometry & MOs

Info

ID:	226485
PubChem CID:	87457480
Reduced:	ClSO2F4N4H11C13 (1)
Stoich.:	ABC2D4E4F11G13 (1)
Weight, g/mol:	250.072929
ΔH_f, kcal/mol:	-191.4
Dipole, Da:	6.0
IP(EA), eV:	-9.91(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

calcium;1,1-dimethoxyethanolate

Drug info:

PubChemData

Smile

CNC1=NC(=NN1C2=C(C=C(C(=C2)S(=O)(=O)F)C3CC3)Cl)C(F)(F)F

DOS

IR

Vibrations