Geometry & MOs

Info

ID:	181629
PubChem CID:	76767560
Reduced:	N3O5C28H35 (1)
Stoich.:	A3B5C28D35 (1)
Weight, g/mol:	485.195071
ΔH_f, kcal/mol:	-142.7
Dipole, Da:	7.26
IP(EA), eV:	-8.72(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[4-(5-cyanopentanoylamino)phenyl]buta-1,3-diynyl]-N-(1,4-dihydroxy-2-oxopentan-3-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)N(CC(=O)NC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)NC(C(C)O)C(=O)CO)C(C)C

DOS

IR

Vibrations