Geometry & MOs

Info

ID:	169484
PubChem CID:	75110183
Reduced:	ClN2S2O6C23H23 (1)
Stoich.:	AB2C2D6E23F23 (1)
Weight, g/mol:	449.075655
ΔH_f, kcal/mol:	-167.75
Dipole, Da:	11.53
IP(EA), eV:	-8.96(-1.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[[(2,6-dichloro-3-hydroxy-4-methoxyphenyl)methylamino]methyl]-3,4-dihydroxyoxolan-2-yl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(COC1=C(C=C(C=C1)N2CC3=C(C2=O)SC(=C3)C4=NC=C(C=C4)Cl)OC)O

DOS

IR

Vibrations