Geometry & MOs

Info

ID:	64266
PubChem CID:	29198768
Reduced:	N3O5C13H15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	481.03862
ΔH_f, kcal/mol:	-114.98
Dipole, Da:	6.8
IP(EA), eV:	-9.9(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-iodoanilino)-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

DOS

IR

Vibrations