Geometry & MOs

Info

ID:	181626
PubChem CID:	76767498
Reduced:	N3O6C28H29 (1)
Stoich.:	A3B6C28D29 (1)
Weight, g/mol:	483.215806
ΔH_f, kcal/mol:	-109.78
Dipole, Da:	6.82
IP(EA), eV:	-8.78(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-hydroxy-3-oxo-1-[[2-(2-phenylethylamino)acetyl]amino]butan-2-yl]-4-(2-phenylethynyl)benzamide

Drug info:

PubChemData

Smile

CC(C(C(=O)CO)NC(=O)C1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)NC(=O)CN3CCOCC3)O

DOS

IR

Vibrations