Geometry & MOs

Info

ID:	181636
PubChem CID:	76767901
Reduced:	NF2O4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	508.211055
ΔH_f, kcal/mol:	-225.52
Dipole, Da:	2.33
IP(EA), eV:	-9.98(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-4-hydroxy-3-oxobutan-2-yl)-4-[4-[4-(4-pyridin-4-ylbutanoylamino)phenyl]buta-1,3-diynyl]benzamide

Drug info:

PubChemData

Smile

CC(C(C(=O)CO)NC(=O)C1=CC=C(C=C1)C2=C(C=C(C=C2)F)F)O

DOS

IR

Vibrations