Geometry & MOs

Info

ID:	186923
PubChem CID:	77505982
Reduced:	ClSF3N3O5C25H25 (1)
Stoich.:	ABC3D3E5F25G25 (1)
Weight, g/mol:	397.094371
ΔH_f, kcal/mol:	-288.71
Dipole, Da:	10.68
IP(EA), eV:	-9.09(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[3,4-dihydroxy-5-[hydroxy-(4-methylphenyl)sulfonylmethyl]oxolan-2-yl]pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)N2CC(CC2C(=O)O)S(=O)(=O)C3=C(C=C(C=C3)OCC(F)(F)F)Cl)CCC4=CC=CC=C4

DOS

IR

Vibrations