Geometry & MOs

Info

ID:	223737
PubChem CID:	85335502
Reduced:	ClFOSN4C28H28 (1)
Stoich.:	ABCDE4F28G28 (1)
Weight, g/mol:	523.102983
ΔH_f, kcal/mol:	0.42
Dipole, Da:	2.72
IP(EA), eV:	-8.48(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[3-(difluoromethoxy)phenoxy]-N-[3-(trifluoromethyl)phenoxy]anilino]-1,1,1-trifluoropropan-2-ol

Drug info:

PubChemData

Smile

C1CN(CCN1CCCN2C(SC(=CC3=CC(=CC=C3)Cl)C2=O)C4=CC(=CC=C4)F)C5=CC=CC=N5

DOS

IR

Vibrations