Geometry & MOs

Info

ID:	174353
PubChem CID:	75757328
Reduced:	N2O6C29H30 (1)
Stoich.:	A2B6C29D30 (1)
Weight, g/mol:	484.184566
ΔH_f, kcal/mol:	-152.13
Dipole, Da:	5.78
IP(EA), eV:	-8.87(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(tert-butylamino)-2-oxo-1-(2,4,6-trihydroxyphenyl)ethyl]-2,3-dihydroxy-N-[(5-methylfuran-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CN(C(C2=C(C=C(C=C2O)O)O)C(=O)NC3CCCCC3)C(=O)C#CC4=CC=CC=C4

DOS

IR

Vibrations