Geometry & MOs

Info

ID:

178599

PubChem CID:

76354220

Reduced:

ClO2N5H16C19 (1)

Stoich.:

AB2C5D16E19 (1)

Weight, g/mol:

495.25154

ΔHf, kcal/mol:

23.59

Dipole, Da:

7.3

IP(EA), eV:

 -8.9(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-cyclopropyl-N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-1-(2-methylpropyl)-2,4-dioxo-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C=CC(=O)NCC(=O)NC2=CC=C(C=C2)N3C=NC=N3

DOS

IR

Vibrations