Geometry & MOs

Info

ID:	11820
PubChem CID:	121471
Reduced:	SO2N3C13H23 (1)
Stoich.:	AB2C3D13E23 (1)
Weight, g/mol:	285.151098
ΔH_f, kcal/mol:	-82.58
Dipole, Da:	4.69
IP(EA), eV:	-8.87(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(dimethylamino)ethyl]-5-pentan-2-yl-2-sulfanyl-1H-pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

CCCC(C)C1(C(=O)NC(=NC1=O)S)CCN(C)C

DOS

IR

Vibrations