Geometry & MOs

Info

ID:	167415
PubChem CID:	74825096
Reduced:	O2S2N3C12H15 (1)
Stoich.:	A2B2C3D12E15 (1)
Weight, g/mol:	356.153621
ΔH_f, kcal/mol:	25.28
Dipole, Da:	35.64
IP(EA), eV:	-7.22(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-(6-methyl-2-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CCSC2=NC3=NC(=O)C=C(C3S2)[O-]

DOS

IR

Vibrations