Geometry & MOs

Info

ID:	173944
PubChem CID:	75704563
Reduced:	NO3C12H13 (2)
Stoich.:	AB3C12D13 (2)
Weight, g/mol:	450.215472
ΔH_f, kcal/mol:	-179.72
Dipole, Da:	6.28
IP(EA), eV:	-9.01(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(tert-butylamino)-1-oxo-3-phenylbutan-2-yl]-N-(furan-2-ylmethyl)-2,3-dihydroxybenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC=CC=C1O)N(CC2=CC=CO2)C(=O)C3=C(C(=CC=C3)O)O

DOS

IR

Vibrations