Geometry & MOs

Info

ID:	54521
PubChem CID:	17388812
Reduced:	NO5H17C18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	310.99633
ΔH_f, kcal/mol:	-152.39
Dipole, Da:	6.42
IP(EA), eV:	-9.57(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CCCC1=CC2=C(C=C1O)OC=C(C2=O)C3=CC=CC=N3.C(=O)O

DOS

IR

Vibrations