Geometry & MOs

Info

ID:	134951
PubChem CID:	51788827
Reduced:	ClN2O4C24H31 (1)
Stoich.:	AB2C4D24E31 (1)
Weight, g/mol:	442.129549
ΔH_f, kcal/mol:	-173.08
Dipole, Da:	5.41
IP(EA), eV:	-9.3(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-(butylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2-chlorophenyl)-2,3-dihydroxybenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C(CC)CC)N(C1=CC=CC=C1Cl)C(=O)C2=C(C=CC=C2O)O

DOS

IR

Vibrations