Geometry & MOs

Info

ID:	127462
PubChem CID:	51002937
Reduced:	FNO4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	598.208067
ΔH_f, kcal/mol:	-189.49
Dipole, Da:	5.51
IP(EA), eV:	-9.21(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-phenyl-1-tributylstannylpropyl) 4-(trifluoromethyl)benzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)[C@H]2CC(=O)CCN2.C1=CC=C(C=C1)[C@@H](C(=O)O)O

DOS

IR

Vibrations