Geometry & MOs

Info

ID:	17014
PubChem CID:	482192
Reduced:	N2O8H18C21 (1)
Stoich.:	A2B8C18D21 (1)
Weight, g/mol:	426.106316
ΔH_f, kcal/mol:	-197.98
Dipole, Da:	7.83
IP(EA), eV:	-8.6(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4,6-trihydroxy-3-nitro-N-[2-(4-phenoxyphenoxy)ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=C(C=C2)OCCNC(=O)C3=C(C(=C(C=C3O)O)[N+](=O)[O-])O

DOS

IR

Vibrations