Geometry & MOs

Info

ID:	218202
PubChem CID:	85089023
Reduced:	ClF3O5C20H26 (1)
Stoich.:	AB3C5D20E26 (1)
Weight, g/mol:	438.135778
ΔH_f, kcal/mol:	-383.03
Dipole, Da:	4.31
IP(EA), eV:	-9.9(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 3-[2-(7-chloro-1-oxoisoquinolin-2-yl)butanoylamino]-5-fluoro-4-oxopentanoate

Drug info:

PubChemData

Smile

CCCCCC(C(C(=O)OCC)OC(=O)C(C1=CC=CC=C1)(C(F)(F)F)OC)Cl

DOS

IR

Vibrations