Geometry & MOs

Info

ID:	324384
PubChem CID:	126677555
Reduced:	OC16H32 (1)
Stoich.:	AB16C32 (1)
Weight, g/mol:	574.197394
ΔH_f, kcal/mol:	-118.01
Dipole, Da:	2.3
IP(EA), eV:	-10.42(2.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-3-cyclohexyl-2-[hydroxy-[4-[2-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethyl]anilino]methyl]imino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCCCCCC1CCC(C1)CCCCCO

DOS

IR

Vibrations