Geometry & MOs

Info

ID:	147493
PubChem CID:	53787149
Reduced:	ClSN5O8H30C31 (1)
Stoich.:	ABC5D8E30F31 (1)
Weight, g/mol:	243.085521
ΔH_f, kcal/mol:	-154.54
Dipole, Da:	7.49
IP(EA), eV:	-9.3(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-5-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)COC(=O)C(=C(C)C)N2C(C(C2=O)NC(=O)C3=C(ON=C3C4=CC=CC=C4Cl)C)S(=O)(=O)NC5=NOC(=C5)C

DOS

IR

Vibrations