Geometry & MOs

Info

ID:	85431
PubChem CID:	49875054
Reduced:	ClSN2O3C18H25 (1)
Stoich.:	ABC2D3E18F25 (1)
Weight, g/mol:	313.931969
ΔH_f, kcal/mol:	-88.24
Dipole, Da:	2.81
IP(EA), eV:	-9.21(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dichlorophenoxy)-5-nitrothiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CCCCCCCOC2=CC=C(S2)C(=O)NCCCl

DOS

IR

Vibrations