Geometry & MOs

Info

ID:	177854
PubChem CID:	76244360
Reduced:	SO2N6C25H30 (1)
Stoich.:	AB2C6D25E30 (1)
Weight, g/mol:	402.226705
ΔH_f, kcal/mol:	30.47
Dipole, Da:	5.92
IP(EA), eV:	-8.32(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-(4-methylphenoxy)ethyl]-2,4-dioxo-1-propyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)(C#N)NC(=O)CSC2=NNC(=C3C=NC4=CC=CC=C43)N2CC5CCCO5

DOS

IR

Vibrations