Geometry & MOs

Info

ID:	403890
PubChem CID:	135062373
Reduced:	NSO3C23H25 (1)
Stoich.:	ABC3D23E25 (1)
Weight, g/mol:	528.286717
ΔH_f, kcal/mol:	-76.66
Dipole, Da:	3.88
IP(EA), eV:	-8.63(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2R)-1-(4-methoxyphenyl)-3-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]but-3-enoxy]-dimethyl-phenylsilane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=C2C3=CC=CC=C3)C(=O)C(C)(C)C)C

DOS

IR

Vibrations