Geometry & MOs

Info

ID:	62522
PubChem CID:	26719831
Reduced:	SN2O5C17H18 (1)
Stoich.:	AB2C5D17E18 (1)
Weight, g/mol:	378.088557
ΔH_f, kcal/mol:	-77.58
Dipole, Da:	7.6
IP(EA), eV:	-8.28(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trimethoxy-N-(3-methylsulfanylphenyl)-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=CC(=CC=C2)SC)OC

DOS

IR

Vibrations