Geometry & MOs

Info

ID:	134729
PubChem CID:	51746903
Reduced:	N2O5C25H28 (1)
Stoich.:	A2B5C25D28 (1)
Weight, g/mol:	470.168916
ΔH_f, kcal/mol:	-138.2
Dipole, Da:	3.54
IP(EA), eV:	-8.86(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(tert-butylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2,6-dihydroxybenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC=C(C=C1)OC)N(CC2=CC=CO2)C(=O)C3=CC=C(C=C3)O

DOS

IR

Vibrations