Geometry & MOs

Info

ID:	216326
PubChem CID:	85086053
Reduced:	ON2C6H12 (2)
Stoich.:	AB2C6D12 (2)
Weight, g/mol:	254.01837
ΔH_f, kcal/mol:	-116.53
Dipole, Da:	4.1
IP(EA), eV:	-9.98(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-cyano-6-methyl-4-methylsulfanyl-2-sulfanylidene-3H-pyridine-5-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCN1C(C(C(=O)NC1=O)N)N

DOS

IR

Vibrations