Geometry & MOs

Info

ID:	26600
PubChem CID:	793370
Reduced:	FN2O4H13C17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	225.118735
ΔH_f, kcal/mol:	-32.67
Dipole, Da:	5.77
IP(EA), eV:	-9.21(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[(2S,4S)-2-propyloxan-4-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)/C(=C/C2=CC=CC=C2F)/C#N)[N+](=O)[O-])OC

DOS

IR

Vibrations