Geometry & MOs

Info

ID:	435891
PubChem CID:	135192693
Reduced:	F5O5C37H41 (1)
Stoich.:	A5B5C37D41 (1)
Weight, g/mol:	454.140336
ΔH_f, kcal/mol:	-415.5
Dipole, Da:	3.71
IP(EA), eV:	-8.9(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CC(O)OCCCCCCC1=CC(=C(C=C1)C2=CC(=C(C(=C2)F)C(OC3=CC=C(C=C3)CCCCCCOC(=O)C=C)(F)F)F)F

DOS

IR

Vibrations