Geometry & MOs

Info

ID:	137556
PubChem CID:	52227762
Reduced:	ON4C14H25 (1)
Stoich.:	AB4C14D25 (1)
Weight, g/mol:	389.107222
ΔH_f, kcal/mol:	-20.49
Dipole, Da:	4.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755058
Charge, e:	-1

Chem-info

IUPAC name:

2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-6-pyridin-3-ylpyrimidin-4-olate

Drug info:

PubChemData

Smile

CC[C@H]1CCC[NH+](C1)CC(=O)NC2=C(NN=C2C)C

DOS

IR

Vibrations