Geometry & MOs

Info

ID:	174358
PubChem CID:	75757682
Reduced:	N2O6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	486.309372
ΔH_f, kcal/mol:	-179.37
Dipole, Da:	5.62
IP(EA), eV:	-9.1(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydroxy-N-[(5-methylfuran-2-yl)methyl]-N-[1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)heptan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC=CO1)N(CC2=CC=C(O2)C)C(=O)C3=C(C(=CC=C3)O)O

DOS

IR

Vibrations