Geometry & MOs

Info

ID:	147698
PubChem CID:	53787355
Reduced:	N3O7C27H33 (1)
Stoich.:	A3B7C27D33 (1)
Weight, g/mol:	228.077342
ΔH_f, kcal/mol:	-306.32
Dipole, Da:	2.66
IP(EA), eV:	-8.74(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,3-tetrafluorohept-2-en-2-yl acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N)C(=O)NC[C@H](CC2(CCCC2)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)O)C(=O)O

DOS

IR

Vibrations