Geometry & MOs

Info

ID:	36053
PubChem CID:	7980703
Reduced:	O4H18C21 (1)
Stoich.:	A4B18C21 (1)
Weight, g/mol:	364.105922
ΔH_f, kcal/mol:	-96.69
Dipole, Da:	4.23
IP(EA), eV:	-9.23(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)C1=CC=C(C=C1)OC)OC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations