Geometry & MOs

Info

ID:	137043
PubChem CID:	52143116
Reduced:	SO3N4C14H14 (1)
Stoich.:	AB3C4D14E14 (1)
Weight, g/mol:	332.094312
ΔH_f, kcal/mol:	-12.34
Dipole, Da:	10.06
IP(EA), eV:	-9.54(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C1=NC(=O)C=C(N1)CSC2=NN=C(O2)C3=CC=CO3

DOS

IR

Vibrations