Geometry & MOs

Info

ID:	49475
PubChem CID:	11533076
Reduced:	BrO3N4C22H31 (1)
Stoich.:	AB3C4D22E31 (1)
Weight, g/mol:	479.202048
ΔH_f, kcal/mol:	-86.33
Dipole, Da:	5.85
IP(EA), eV:	-8.56(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-fluoro-6-[3-fluoro-4-[[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butanoylamino]methyl]phenyl]benzoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)NC1=CC(=C(C=C1)OCCN2CCCCCC2)C3=C(C=NN3C)Br

DOS

IR

Vibrations