Geometry & MOs

Info

ID:	315978
PubChem CID:	126629539
Reduced:	NC8H13 (1)
Stoich.:	AB8C13 (1)
Weight, g/mol:	666.39925
ΔH_f, kcal/mol:	29.45
Dipole, Da:	2.4
IP(EA), eV:	-9.19(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(2S)-2-[[(E,2S)-9-(2-ethylquinolin-7-yl)-7-[1-(1-hydroxybutoxy)ethyl]-6-oxo-2-propan-2-ylnon-8-enoyl]amino]propanoyl]diazinane-3-carboxylic acid

Drug info:

PubChemData

Smile

CC/C=C\C=NC(=C)C

DOS

IR

Vibrations