Geometry & MOs

Info

ID:	231903
PubChem CID:	87574871
Reduced:	S2O5F6H32C33 (1)
Stoich.:	A2B5C6D32E33 (1)
Weight, g/mol:	150.079313
ΔH_f, kcal/mol:	-456.82
Dipole, Da:	7.01
IP(EA), eV:	-8.65(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

isocyanatoethane;pyridine

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)OC(CS(=O)(=O)OS(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations