Geometry & MOs

Info

ID:	189963
PubChem CID:	77933276
Reduced:	SO6N7C42H55 (1)
Stoich.:	AB6C7D42E55 (1)
Weight, g/mol:	436.2014
ΔH_f, kcal/mol:	-156.9
Dipole, Da:	7.67
IP(EA), eV:	-8.58(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(2,3-difluorophenyl)phenyl]-3-fluorophenyl]-5-pent-3-enyloxane

Drug info:

PubChemData

Smile

CCC(CN(C)CC)N(C)C(=O)C1=C(N(N=C1)C)C2=CC3=C(C=CC(=C3)OC)C4=C(C5=C(N4C2)C=C(C=C5)C(=O)NS(=O)(=O)N6CCOCC6)C7CCCCC7

DOS

IR

Vibrations