Geometry & MOs

Info

ID:	64491
PubChem CID:	29201625
Reduced:	BrSN2O5C19H21 (1)
Stoich.:	ABC2D5E19F21 (1)
Weight, g/mol:	432.168522
ΔH_f, kcal/mol:	-169.99
Dipole, Da:	7.12
IP(EA), eV:	-8.3(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-amino-1-oxopropan-2-yl] (3E)-3-[(3,4-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)[C@@H](CCS(=O)(=O)C)NC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations