Geometry & MOs

Info

ID:	441083
PubChem CID:	135233028
Reduced:	OSN7C24H25 (1)
Stoich.:	ABC7D24E25 (1)
Weight, g/mol:	503.03346
ΔH_f, kcal/mol:	118.81
Dipole, Da:	6.03
IP(EA), eV:	-8.44(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-bis(trifluoromethyl)anilino]-[5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-yl]methanol

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN(C(=N)C=C2)C(=N)SC3=CC4=CC(=CN=C4C=C3)NCC5CCOC5

DOS

IR

Vibrations