Geometry & MOs

Info

ID:	403832
PubChem CID:	135062072
Reduced:	FOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	382.103894
ΔH_f, kcal/mol:	-64.34
Dipole, Da:	2.82
IP(EA), eV:	-8.8(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-(benzenesulfonyl)-4-fluoro-1,3-diphenylbutan-1-one

Drug info:

PubChemData

Smile

CC[C@@](CF)(C=C)C1=CC(=CC=C1)OC

DOS

IR

Vibrations