Geometry & MOs

Info

ID:	324382
PubChem CID:	126677550
Reduced:	N2O6C13H24 (1)
Stoich.:	A2B6C13D24 (1)
Weight, g/mol:	624.213045
ΔH_f, kcal/mol:	-269.57
Dipole, Da:	5.76
IP(EA), eV:	-9.8(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[hydroxy-[4-[2-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethyl]anilino]methyl]imino-3-(5-methyl-2-propylphenyl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)OC)NC(=O)CC(CCCC(=O)NO)O

DOS

IR

Vibrations