Geometry & MOs

Info

ID:	135232
PubChem CID:	51837148
Reduced:	N2O3C28H36 (1)
Stoich.:	A2B3C28D36 (1)
Weight, g/mol:	456.262422
ΔH_f, kcal/mol:	-68.58
Dipole, Da:	3.64
IP(EA), eV:	-9.32(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dihydroxy-N-[(5-methylfuran-2-yl)methyl]-N-[(Z,2R)-1-oxo-1-(2,4,4-trimethylpentan-2-ylamino)pent-3-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CCC(CC)[C@@H](C(=O)NC1CCCCC1)N(CC2=CC=C(O2)C)C(=O)C#CC3=CC=CC=C3

DOS

IR

Vibrations