Geometry & MOs

Info

ID:	181639
PubChem CID:	76768055
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	473.231456
ΔH_f, kcal/mol:	-139.57
Dipole, Da:	2.53
IP(EA), eV:	-9.27(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dihydroxy-2-oxopentan-3-yl)-4-[2-[4-(5-imidazol-1-ylpentyl)phenyl]ethynyl]benzamide

Drug info:

PubChemData

Smile

CC(C(C(=O)CO)NC(=O)CC1=CC=C(C=C1)C2=CC=CC=C2)O

DOS

IR

Vibrations