Geometry & MOs

Info

ID:	267037
PubChem CID:	103580505
Reduced:	OSN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	297.067094
ΔH_f, kcal/mol:	9.51
Dipole, Da:	2.43
IP(EA), eV:	-8.98(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-nitro-3-(oxolan-2-ylmethylsulfanyl)benzoate

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1C#N)SCC2CCCO2)CC

DOS

IR

Vibrations