Geometry & MOs

Info

ID:	318699
PubChem CID:	126652756
Reduced:	ClSN2F4O4C33H33 (1)
Stoich.:	ABC2D4E4F33G33 (1)
Weight, g/mol:	252.043185
ΔH_f, kcal/mol:	-297.75
Dipole, Da:	5.81
IP(EA), eV:	-9.32(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfanyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenol

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=CC(=C1C(N)O)F)OCCCN(CC2=C(C(=CC=C2)C(F)(F)F)Cl)CC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations