Geometry & MOs

Info

ID:	186996
PubChem CID:	77513910
Reduced:	ClOSN3C18H21 (2)
Stoich.:	ABCD3E18F21 (2)
Weight, g/mol:	196.084792
ΔH_f, kcal/mol:	-34.17
Dipole, Da:	5.1
IP(EA), eV:	-8.36(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-5-pyrimidin-2-yloxolan-3-ol

Drug info:

PubChemData

Smile

C1CCC(C1)NC2=C3C(=CC(=C2)Cl)C=C(N3)C4=NC(CS4)CC(C(CO)C5CSC(=N5)C6=CC7=CC(=CC(=C7N6)NC8CCCC8)Cl)O

DOS

IR

Vibrations