Geometry & MOs

Info

ID:	150543
PubChem CID:	53790236
Reduced:	ON5H15C18 (1)
Stoich.:	AB5C15D18 (1)
Weight, g/mol:	381.088223
ΔH_f, kcal/mol:	154.17
Dipole, Da:	8.59
IP(EA), eV:	-8.86(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3-hydroxypropoxy)-5-methylphenyl] 2-methyl-5-nitrobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=NN=C2C(N=C(C3=CC=CC=C3N2C1)C4=CC=CC=C4)N=O

DOS

IR

Vibrations