Geometry & MOs

Info

ID:	322062
PubChem CID:	126668467
Reduced:	ClFSO3N4H20C24 (1)
Stoich.:	ABCD3E4F20G24 (1)
Weight, g/mol:	434.202799
ΔH_f, kcal/mol:	-54.31
Dipole, Da:	5.55
IP(EA), eV:	-9.37(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-hydroxy-1-[4-methyl-2-(2-methylpyrazol-3-yl)phenyl]propyl]-5-[(Z)-2-methylidenepent-3-enyl]sulfanylphenol

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2=C(C=CC(=C2)Cl)[C@H]3CCOC4=C3C=CC(=C4)S(=O)(=O)NC5=NC(=CC=C5)F

DOS

IR

Vibrations