Geometry & MOs

Info

ID:	155403
PubChem CID:	56354980
Reduced:	NSO5C22H25 (1)
Stoich.:	ABC5D22E25 (1)
Weight, g/mol:	466.22162
ΔH_f, kcal/mol:	-168.87
Dipole, Da:	4.07
IP(EA), eV:	-8.98(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)NC(C)(C)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations