Geometry & MOs

Info

ID:	435890
PubChem CID:	135192688
Reduced:	NOC16H18 (1)
Stoich.:	ABC16D18 (1)
Weight, g/mol:	660.287415
ΔH_f, kcal/mol:	9.95
Dipole, Da:	4.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.950281
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[[2,6-difluoro-4-[2-fluoro-4-[6-(1-hydroxyprop-2-enoxy)hexyl]phenyl]phenyl]-difluoromethoxy]phenyl]hexyl prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=CC=C(C=C1)C[N+]2=CC=CC=C2

DOS

IR

Vibrations