Geometry & MOs

Info

ID:	82964
PubChem CID:	49856894
Reduced:	N5O6C30H43 (1)
Stoich.:	A5B6C30D43 (1)
Weight, g/mol:	400.196966
ΔH_f, kcal/mol:	-209.51
Dipole, Da:	2.04
IP(EA), eV:	-8.62(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-[[3-benzamido-3-(4-fluorophenyl)propanoyl]amino]-3-methylbutyl]boronic acid

Drug info:

PubChemData

Smile

CC(C)C1=C2N=C(C=C(N2N=C1)N(CC3=CC=CC=C3)C(=O)OC(C)(C)C)N[C@@H](COCOC)[C@H]4COC(O4)(C)C

DOS

IR

Vibrations