Geometry & MOs

Info

ID:	269234
PubChem CID:	103616490
Reduced:	OSCl2N3H7C13 (1)
Stoich.:	ABC2D3E7F13 (1)
Weight, g/mol:	324.033541
ΔH_f, kcal/mol:	35.53
Dipole, Da:	4.68
IP(EA), eV:	-8.97(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(5-ethylthiophen-2-yl)methyl]-5-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1NC(=O)C3=C(C=CC(=N3)Cl)Cl)SC=N2

DOS

IR

Vibrations