Geometry & MOs

Info

ID:	134730
PubChem CID:	51746993
Reduced:	NO4C12H13 (2)
Stoich.:	AB4C12D13 (2)
Weight, g/mol:	456.1452
ΔH_f, kcal/mol:	-293.47
Dipole, Da:	3.96
IP(EA), eV:	-9.37(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(butylamino)-1-(4-chlorophenyl)-2-oxoethyl]-N-(furan-2-ylmethyl)-2,6-dihydroxybenzamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@H](C1=C(C=C(C=C1O)O)O)N(CC2=CC=CO2)C(=O)C3=C(C=CC=C3O)O

DOS

IR

Vibrations