Geometry & MOs

Info

ID:	390479
PubChem CID:	134999335
Reduced:	SiB2F4O5C47H56 (1)
Stoich.:	AB2C4D5E47F56 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-495.11
Dipole, Da:	2.17
IP(EA), eV:	-8.67(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1,3-dioxoisoindol-2-yl)methyl]-4,4-dimethylpentanoate

Drug info:

Smile

B1(OC(C(O1)(C)C)(C)C)/C=C/[C@@H](B2OC(C(O2)(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F)[C@H](C=C)O[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations