Geometry & MOs

Info

ID:	26328
PubChem CID:	644499
Reduced:	ClON3C16H24 (1)
Stoich.:	ABC3D16E24 (1)
Weight, g/mol:	489.030779
ΔH_f, kcal/mol:	-47.53
Dipole, Da:	4.68
IP(EA), eV:	-8.21(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=CC(=C(C=C1)N2CCN(CC2)CC)Cl

DOS

IR

Vibrations