Geometry & MOs

Info

ID:	399988
PubChem CID:	135044365
Reduced:	NSO5C11H16 (1)
Stoich.:	ABC5D11E16 (1)
Weight, g/mol:	270.141993
ΔH_f, kcal/mol:	-202.46
Dipole, Da:	5.05
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.761162
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(2-fluorophenyl)-2-phenylhexan-1-one

Drug info:

PubChemData

Smile

C1=CC=[NH+]C(=C1)S[C@H]2C(C([C@@H](C(O2)CO)O)O)O

DOS

IR

Vibrations