Geometry & MOs

Info

ID:	245639
PubChem CID:	99455721
Reduced:	O2S2N3C21H29 (1)
Stoich.:	A2B2C3D21E29 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-51.88
Dipole, Da:	3.5
IP(EA), eV:	-8.71(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-(9-oxoacridin-10-yl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)[C@H](C)CNC(=O)C2=CC=C(C=C2)SCC3=CSC(=N3)C

DOS

IR

Vibrations