Geometry & MOs

Info

ID:	61528
PubChem CID:	26710257
Reduced:	ClSO3N5H22C23 (1)
Stoich.:	ABC3D5E22F23 (1)
Weight, g/mol:	316.105922
ΔH_f, kcal/mol:	-10.75
Dipole, Da:	11.63
IP(EA), eV:	-8.84(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=NS(=O)(=O)C3=CC=CC=C32)C(=O)NC4=CC=NN4CC5=CC(=CC=C5)Cl

DOS

IR

Vibrations