Geometry & MOs

Info

ID:	36746
PubChem CID:	8012126
Reduced:	O2H7C8 (2)
Stoich.:	A2B7C8 (2)
Weight, g/mol:	275.072848
ΔH_f, kcal/mol:	-106.15
Dipole, Da:	2.49
IP(EA), eV:	-9.14(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-methyl-6-oxo-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)OC(=O)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations