Geometry & MOs

Info

ID:	415534
PubChem CID:	135088530
Reduced:	ClSN2O2C17H17 (1)
Stoich.:	ABC2D2E17F17 (1)
Weight, g/mol:	407.216869
ΔH_f, kcal/mol:	-36.06
Dipole, Da:	4.13
IP(EA), eV:	-9.11(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethyl]-1,3-dimethylpurine-2,6-dione

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=NC=C(C=C3)Cl)C4=C1C=CS4

DOS

IR

Vibrations