Geometry & MOs

Info

ID:	297591
PubChem CID:	117622502
Reduced:	BrO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	525.146677
ΔH_f, kcal/mol:	-170.19
Dipole, Da:	3.4
IP(EA), eV:	-10.12(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1-yl]-4-fluoropentanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCCOC(=O)CC(C1=CC(=CC=C1)Br)C(=O)O

DOS

IR

Vibrations