Geometry & MOs

Info

ID:	170101
PubChem CID:	75197189
Reduced:	ON6C13H16 (1)
Stoich.:	AB6C13D16 (1)
Weight, g/mol:	482.192309
ΔH_f, kcal/mol:	73.6
Dipole, Da:	3.25
IP(EA), eV:	-8.52(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methyl-2,4-dioxo-7-propan-2-yl-1-propyl-4a,5,6,7,8,8a-hexahydropyrimido[4,5-d]pyrimidin-5-yl)sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2NOC(=N2)C3=C(NN=C3NC)N

DOS

IR

Vibrations