Geometry & MOs

Info

ID:	390689
PubChem CID:	135000377
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	384.26432
ΔH_f, kcal/mol:	-78.71
Dipole, Da:	8.85
IP(EA), eV:	-8.21(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4,5,5-tetramethyl-2-[(Z,1S)-1-phenyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-2-enyl]-1,3,2-dioxaborolane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC3=CN=C(C=C32)N4CCOCC4

DOS

IR

Vibrations