Geometry & MOs

Info

ID:	218588
PubChem CID:	85089653
Reduced:	FPN3O8C12H19 (1)
Stoich.:	ABC3D8E12F19 (1)
Weight, g/mol:	482.191623
ΔH_f, kcal/mol:	-468.77
Dipole, Da:	6.43
IP(EA), eV:	-10.3(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,9,13-trimethyl-4-oxo-3,14-dioxatetracyclo[7.5.0.01,13.02,6]tetradecan-12-yl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate

Drug info:

PubChemData

Smile

CC1CN(C(=O)NC1=O)C2CC(C(O2)OP(=O)(NCC(=O)OC)O)F

DOS

IR

Vibrations