Geometry & MOs

Info

ID:	62519
PubChem CID:	26719828
Reduced:	OSN3C17H19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	362.093643
ΔH_f, kcal/mol:	8.93
Dipole, Da:	3.62
IP(EA), eV:	-8.4(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-4-methoxy-N-(3-methylsulfanylphenyl)-2-nitrobenzamide

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)C2=C(N=CC=C2)N3CCCC3

DOS

IR

Vibrations