Geometry & MOs

Info

ID:	25369
PubChem CID:	623867
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	276.031243
ΔH_f, kcal/mol:	-64.96
Dipole, Da:	3.31
IP(EA), eV:	-8.06(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-pentyl-2-sulfanylidene-1,3-dithiole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N=C2N(C(CC(O2)C)(C)C)C

DOS

IR

Vibrations