Geometry & MOs

Info

ID:	186329
PubChem CID:	77421229
Reduced:	NO3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	409.206053
ΔH_f, kcal/mol:	-115.99
Dipole, Da:	5.1
IP(EA), eV:	-9.26(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl-N-[1-(4-phenylphenyl)-3-(2,2,5-trimethyl-4,6-dioxo-1,3-dioxan-5-yl)propan-2-yl]boronamidic acid

Drug info:

PubChemData

Smile

CC1(CC(NC1=O)CC2=CC=C(C=C2)C3=CC=CC=C3)COC4CCCCO4

DOS

IR

Vibrations