Geometry & MOs

Info

ID:	159726
PubChem CID:	57288671
Reduced:	NO3C14H16 (2)
Stoich.:	AB3C14D16 (2)
Weight, g/mol:	537.07057
ΔH_f, kcal/mol:	-217.06
Dipole, Da:	6.02
IP(EA), eV:	-8.87(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-chloro-3-(4-chloro-2-nitrophenoxy)-2-nitrophenoxy]-N-(furan-2-ylmethyl)hexanamide

Drug info:

PubChemData

Smile

C[C@H](CC1=CN(C2=CC=CC=C21)C(=O)O)NC(=O)[C@H](C3=CC4=C(C=C3)OCO4)[C@@H](C5CCCCC5)O

DOS

IR

Vibrations