Geometry & MOs

Info

ID:	400683
PubChem CID:	135048763
Reduced:	B2O4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	211.0667
ΔH_f, kcal/mol:	-273.74
Dipole, Da:	3.26
IP(EA), eV:	-9.07(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-sulfanylidenepyridine-1-carboxylate

Drug info:

PubChemData

Smile

B1(OCCCO1)C(=C(C)C2=CC=CC=C2)B3OCCCO3

DOS

IR

Vibrations