Geometry & MOs

Info

ID:	222307
PubChem CID:	85296543
Reduced:	SO4H18C19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	347.148121
ΔH_f, kcal/mol:	-60.8
Dipole, Da:	1.78
IP(EA), eV:	-8.67(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-anilino-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one

Drug info:

PubChemData

Smile

COC1=C(C23C(CCC2=CC1=O)C4=CC(=O)C(=CC=C34)SC)OC

DOS

IR

Vibrations