Geometry & MOs

Info

ID:	325576
PubChem CID:	126684037
Reduced:	N3O5C28H47 (1)
Stoich.:	A3B5C28D47 (1)
Weight, g/mol:	286.02509
ΔH_f, kcal/mol:	-236.92
Dipole, Da:	2.26
IP(EA), eV:	-9.6(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-thiol

Drug info:

PubChemData

Smile

CCCCC(C)(CCC)CCCN1C(=O)N(C(=O)N(C1=O)CC(C)O)CC2C(O2)C=CCCC=CC

DOS

IR

Vibrations