Geometry & MOs

Info

ID:	208787
PubChem CID:	80586250
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	253.124883
ΔH_f, kcal/mol:	-19.26
Dipole, Da:	6.69
IP(EA), eV:	-8.88(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-propan-2-yloxy-N-(thiolan-2-ylmethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CC(SC1)CNC(=O)C2=C(C=NC=C2)C#CCCO

DOS

IR

Vibrations