Geometry & MOs

Info

ID:	149462
PubChem CID:	53789135
Reduced:	SF3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	580.303618
ΔH_f, kcal/mol:	-144.84
Dipole, Da:	2.64
IP(EA), eV:	-8.69(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-acetyl-5-methyl-2-methylidenehexanoic acid;dibenzyl 2-[(3R)-5-methyl-2-oxohexan-3-yl]propanedioate

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)SC)CC(F)(F)F

DOS

IR

Vibrations