Geometry & MOs

Info

ID:	448650
PubChem CID:	135292487
Reduced:	O2N3C19H29 (1)
Stoich.:	A2B3C19D29 (1)
Weight, g/mol:	463.314517
ΔH_f, kcal/mol:	-74.82
Dipole, Da:	4.61
IP(EA), eV:	-9.7(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5S,6R)-5-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-N-[(3R,6R)-6-hydroxy-3-methyloctan-4-yl]-6-methyloctanamide

Drug info:

PubChemData

Smile

CC1CC2CC(CC(C1)(C2)C(C(=O)N3C(CC4C3C4)C#N)N)(C)O

DOS

IR

Vibrations