Geometry & MOs

Info

ID:	1495
PubChem CID:	4596
Reduced:	O4N6C23H30 (1)
Stoich.:	A4B6C23D30 (1)
Weight, g/mol:	454.232853
ΔH_f, kcal/mol:	-96.03
Dipole, Da:	1.44
IP(EA), eV:	-8.77(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-amino-6-oxo-2-phenylpyrimidin-1-yl)-N-[1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-1-hydroxy-3-methylbutan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)C(C(C1=NN=C(O1)C(C)(C)C)O)NC(=O)CN2C(=NC=C(C2=O)N)C3=CC=CC=C3

DOS

IR

Vibrations