Geometry & MOs

Info

ID:	23894
PubChem CID:	607026
Reduced:	ClSN2O3H11C16 (1)
Stoich.:	ABC2D3E11F16 (1)
Weight, g/mol:	346.017891
ΔH_f, kcal/mol:	4.13
Dipole, Da:	11.05
IP(EA), eV:	-9.32(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(2-methyl-4-nitrophenyl)-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C3=CC=CC=C3S2)Cl

DOS

IR

Vibrations