Geometry & MOs

Info

ID:	130159
PubChem CID:	51075101
Reduced:	OSN5C16H23 (1)
Stoich.:	ABC5D16E23 (1)
Weight, g/mol:	349.157246
ΔH_f, kcal/mol:	9.77
Dipole, Da:	4.28
IP(EA), eV:	-9.07(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C(=O)N(C)C1CCCCC1)SC2=NC=NC3=C2C=NN3C

DOS

IR

Vibrations