Geometry & MOs

Info

ID:	298365
PubChem CID:	117648674
Reduced:	FO2N9C28H30 (1)
Stoich.:	AB2C9D28E30 (1)
Weight, g/mol:	364.142307
ΔH_f, kcal/mol:	19.3
Dipole, Da:	5.02
IP(EA), eV:	-8.77(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(8-ethyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)-2-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)NC2=NC(=C(C=C2C#N)F)N[C@H](CC3=CC=CC=C3)CNC(=O)OC(C)(C)C)N4N=CC=N4

DOS

IR

Vibrations