Geometry & MOs

Info

ID:	236835
PubChem CID:	92714923
Reduced:	SN4O5C26H28 (1)
Stoich.:	AB4C5D26E28 (1)
Weight, g/mol:	402.068402
ΔH_f, kcal/mol:	-117.58
Dipole, Da:	12.23
IP(EA), eV:	-8.71(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-tert-butyl-5-[[(1R)-2,2-dichlorocyclopropyl]methylsulfanyl]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(=O)N1CCCC2=C1C=CC(=C2)S(=O)(=O)N3CCC[C@@H](C3)C(=O)NC4=CC=C(C=C4)C5=CC=NO5

DOS

IR

Vibrations