Geometry & MOs

Info

ID:	169506
PubChem CID:	75113190
Reduced:	ClNO2F3H15C18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	531.3592
ΔH_f, kcal/mol:	-191.51
Dipole, Da:	6.65
IP(EA), eV:	-9.22(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-N-(1-amino-4-methyl-1-oxopentan-2-yl)-2-[[2-amino-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoyl]amino]hexanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(C(F)(F)F)NC(=O)C=CC2=CC=CC=C2Cl

DOS

IR

Vibrations