Geometry & MOs

Info

ID:	150950
PubChem CID:	53790647
Reduced:	O4C9H14 (1)
Stoich.:	A4B9C14 (1)
Weight, g/mol:	565.372701
ΔH_f, kcal/mol:	-125.96
Dipole, Da:	2.38
IP(EA), eV:	-10.45(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S,5S,7S)-5-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxy-7-[[7-(3-methoxypropoxy)-1,3-benzodioxol-5-yl]methyl]-8-methyl-2-propan-2-ylnonanamide

Drug info:

PubChemData

Smile

CCC1C(O1)CC(C2CO2)C(=O)O

DOS

IR

Vibrations