Geometry & MOs

Info

ID:	135622
PubChem CID:	51904401
Reduced:	N3O6H23C24 (1)
Stoich.:	A3B6C23D24 (1)
Weight, g/mol:	474.179087
ΔH_f, kcal/mol:	-173.77
Dipole, Da:	0.77
IP(EA), eV:	-9.67(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] (3S)-3-benzamido-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](CC(=O)OCC(=O)NC(=O)NCC2=CC=CO2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations