Geometry & MOs

Info

ID:	394807
PubChem CID:	135023841
Reduced:	SSiO5C31H42 (1)
Stoich.:	ABC5D31E42 (1)
Weight, g/mol:	556.272593
ΔH_f, kcal/mol:	-229.36
Dipole, Da:	5.15
IP(EA), eV:	-8.74(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-[3-[4-(1,3-dioxoisoindol-2-yl)butyl]phenyl]-2-[3-(2-methylpropyl)phenyl]phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)[C@H](CCCCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)COS(=O)(=O)C

DOS

IR

Vibrations