Geometry & MOs

Info

ID:	37224
PubChem CID:	8018518
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	348.147393
ΔH_f, kcal/mol:	-129.83
Dipole, Da:	5.89
IP(EA), eV:	-8.22(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 4-cyanobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations