Geometry & MOs

Info

ID:	440778
PubChem CID:	135231419
Reduced:	SF3O4N5C19H32 (1)
Stoich.:	AB3C4D5E19F32 (1)
Weight, g/mol:	434.102431
ΔH_f, kcal/mol:	-255.35
Dipole, Da:	5.31
IP(EA), eV:	-8.71(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-methyl-5-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1,5-dihydro-1,2,4-triazol-2-yl]methyl]phenol

Drug info:

PubChemData

Smile

CC/C=C\C(=C/C(=N\O)/N=C(C)N(C(C)N1CCC(CC1)S(=O)(=O)C)NC)\OC(F)(F)F

DOS

IR

Vibrations