Geometry & MOs

Info

ID:	36051
PubChem CID:	7980701
Reduced:	N2O6H18C21 (1)
Stoich.:	A2B6C18D21 (1)
Weight, g/mol:	394.116486
ΔH_f, kcal/mol:	-109.48
Dipole, Da:	9.33
IP(EA), eV:	-9.12(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)OC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations