Geometry & MOs

Info

ID:	403721
PubChem CID:	135061506
Reduced:	NSF3O4C29H30 (1)
Stoich.:	ABC3D4E29F30 (1)
Weight, g/mol:	346.23154
ΔH_f, kcal/mol:	-238.95
Dipole, Da:	5.31
IP(EA), eV:	-8.54(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 3-(2-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C[C@@H](C1=CC=CC=C1[S@@](=O)C2=CC=C(C=C2)C)[C@@H](C(F)(F)F)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations