Geometry & MOs

Info

ID:	139532
PubChem CID:	52550822
Reduced:	SO2N4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	399.194677
ΔH_f, kcal/mol:	51.28
Dipole, Da:	6.07
IP(EA), eV:	-9.01(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4E)-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-benzylidene-2-methyl-2,3-dihydro-1H-acridine-9-carboxamide

Drug info:

PubChemData

Smile

C1CN(N=C1C2=CC=CC=C2)C(=O)CO/N=C(/C3=CC=CS3)\N

DOS

IR

Vibrations