Geometry & MOs

Info

ID:	324863
PubChem CID:	126678499
Reduced:	O3H10C12 (1)
Stoich.:	A3B10C12 (1)
Weight, g/mol:	672.214187
ΔH_f, kcal/mol:	-52.38
Dipole, Da:	4.87
IP(EA), eV:	-9.6(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-3-(2-butan-2-yloxy-5-methylphenyl)-2-[[2-fluoro-4-[2-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethyl]anilino]-hydroxymethyl]imino-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

C=CC(=O)C1=CC=C(C=C1)OC(=O)C=C

DOS

IR

Vibrations