Geometry & MOs

Info

ID:	35700
PubChem CID:	7980218
Reduced:	N2O6H16C17 (1)
Stoich.:	A2B6C16D17 (1)
Weight, g/mol:	361.131408
ΔH_f, kcal/mol:	-125.75
Dipole, Da:	9.21
IP(EA), eV:	-9.57(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(4-phenylanilino)ethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations