Geometry & MOs

Info

ID:	227619
PubChem CID:	87562102
Reduced:	ClKSO3H10C20 (1)
Stoich.:	ABCD3E10F20 (1)
Weight, g/mol:	124.063663
ΔH_f, kcal/mol:	-97.34
Dipole, Da:	11.75
IP(EA), eV:	-8.35(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

acetaldehyde;pyrimidine

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C4=CC=CC5=CC(=C(C(=C54)C3=CC=C2)S(=O)(=O)[O-])Cl.[K+]

DOS

IR

Vibrations