Geometry & MOs

Info

ID:	366564
PubChem CID:	127320093
Reduced:	O2F3N3C13H18 (1)
Stoich.:	A2B3C3D13E18 (1)
Weight, g/mol:	317.119798
ΔH_f, kcal/mol:	-207.74
Dipole, Da:	6.43
IP(EA), eV:	-9.44(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxycyclohexyl)-N-[4-(thiadiazol-4-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)CC(=O)NCC2CCN(C2)CC(F)(F)F

DOS

IR

Vibrations