Geometry & MOs

Info

ID:	45495
PubChem CID:	10514180
Reduced:	SN4C5O5H12 (1)
Stoich.:	AB4C5D5E12 (1)
Weight, g/mol:	240.111007
ΔH_f, kcal/mol:	-180.65
Dipole, Da:	7.18
IP(EA), eV:	-9.17(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)/C=[NH+]/N=C(N)N.CS(=O)(=O)[O-]

DOS

IR

Vibrations