Geometry & MOs

Info

ID:	218627
PubChem CID:	85089717
Reduced:	O4C31H50 (1)
Stoich.:	A4B31C50 (1)
Weight, g/mol:	486.135778
ΔH_f, kcal/mol:	-229.73
Dipole, Da:	3.61
IP(EA), eV:	-8.71(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)CO)O)C)OCCCC4(CCCCC4)O

DOS

IR

Vibrations