Geometry & MOs

Info

ID:	64489
PubChem CID:	29201620
Reduced:	SN3O7H19C20 (1)
Stoich.:	AB3C7D19E20 (1)
Weight, g/mol:	446.184172
ΔH_f, kcal/mol:	-231.78
Dipole, Da:	10.61
IP(EA), eV:	-9.6(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-amino-1-oxopropan-2-yl] (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)O[C@@H](C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)N2C(=O)C3=CC=CC=C3C2=O

DOS

IR

Vibrations