Geometry & MOs

Info

ID:	318383
PubChem CID:	126651016
Reduced:	ClFNO3C18H19 (1)
Stoich.:	ABCD3E18F19 (1)
Weight, g/mol:	246.011743
ΔH_f, kcal/mol:	-150.12
Dipole, Da:	5.14
IP(EA), eV:	-8.97(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-cyclopropyl-5-methylsulfonylphenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)CN(C)C(=O)COC)F)O

DOS

IR

Vibrations