Geometry & MOs

Info

ID:	180977
PubChem CID:	76713055
Reduced:	SO3F4N5C28H31 (1)
Stoich.:	AB3C4D5E28F31 (1)
Weight, g/mol:	433.172559
ΔH_f, kcal/mol:	-212.53
Dipole, Da:	5.42
IP(EA), eV:	-8.89(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-methoxy-4-[2-[4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-2-yloxy]benzenecarboximidamide

Drug info:

PubChemData

Smile

CC12CC3=C(C=C1CCC2CN(CC4CCCO4)S(=O)(=O)C5=CC(N=C5C(F)(F)F)N)N(N=C3)C6=CC=C(C=C6)F

DOS

IR

Vibrations