Geometry & MOs

Info

ID:	185752
PubChem CID:	77344132
Reduced:	SN2O6C22H22 (1)
Stoich.:	AB2C6D22E22 (1)
Weight, g/mol:	466.211965
ΔH_f, kcal/mol:	-186.72
Dipole, Da:	7.73
IP(EA), eV:	-8.81(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(2,3-difluoro-4-pent-1-enoxyphenyl)phenyl]-2-fluorophenyl]-5-methyloxane

Drug info:

PubChemData

Smile

CC1C(OC(=O)N1C2=CC=C(C=C2)OC)COC3=CC=CC(=C3)CN4CC(=O)SC4=O

DOS

IR

Vibrations