Geometry & MOs

Info

ID:	312923
PubChem CID:	126609970
Reduced:	OC15H22 (1)
Stoich.:	AB15C22 (1)
Weight, g/mol:	383.055147
ΔH_f, kcal/mol:	-38.84
Dipole, Da:	1.68
IP(EA), eV:	-8.88(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[5-[5-[3-(trifluoromethoxy)phenyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC=C)C)C(C)(C)C

DOS

IR

Vibrations