Geometry & MOs

Info

ID:	24168
PubChem CID:	608213
Reduced:	SN2O2C8H12 (1)
Stoich.:	AB2C2D8E12 (1)
Weight, g/mol:	200.061949
ΔH_f, kcal/mol:	-59.87
Dipole, Da:	5.5
IP(EA), eV:	-9.64(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-hydroxypropyl)-6-methyl-2-sulfanyl-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1CCCO)S

DOS

IR

Vibrations