Geometry & MOs

Info

ID:	31605
PubChem CID:	855926
Reduced:	ClON2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	334.098728
ΔH_f, kcal/mol:	-47.66
Dipole, Da:	6.92
IP(EA), eV:	-8.77(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 2-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)CN2CCCCC2

DOS

IR

Vibrations