Geometry & MOs

Info

ID:	158507
PubChem CID:	56464108
Reduced:	SO3N5C20H25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	468.248504
ΔH_f, kcal/mol:	-46.16
Dipole, Da:	4.57
IP(EA), eV:	-8.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CCC(=O)NC(C3=NC(=NO3)C4CC4)C(C)C)C

DOS

IR

Vibrations