Geometry & MOs

Info

ID:	35792
PubChem CID:	7980331
Reduced:	N2O6H16C17 (1)
Stoich.:	A2B6C16D17 (1)
Weight, g/mol:	344.100836
ΔH_f, kcal/mol:	-126.95
Dipole, Da:	3.72
IP(EA), eV:	-9.14(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations