Geometry & MOs

Info

ID:	36040
PubChem CID:	7980689
Reduced:	NO4H19C21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	344.116092
ΔH_f, kcal/mol:	-107.65
Dipole, Da:	6.22
IP(EA), eV:	-8.8(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations