Geometry & MOs

Info

ID:	170388
PubChem CID:	75226267
Reduced:	SCl2N2F3O4H17C25 (1)
Stoich.:	AB2C2D3E4F17G25 (1)
Weight, g/mol:	474.240624
ΔH_f, kcal/mol:	-234.51
Dipole, Da:	6.3
IP(EA), eV:	-9.21(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis[[4-(oxan-3-yloxy)phenyl]methylidene]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC1C2=CC=CC(=C2N(C1=O)CC3=C(C=C(C=C3)Cl)Cl)C=CC(=O)NS(=O)(=O)C4=C(C=C(C(=C4)F)F)F

DOS

IR

Vibrations