Geometry & MOs

Info

ID:	402267
PubChem CID:	135055273
Reduced:	SO5C6H12 (1)
Stoich.:	AB5C6D12 (1)
Weight, g/mol:	416.288637
ΔH_f, kcal/mol:	-223.69
Dipole, Da:	3.68
IP(EA), eV:	-9.69(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-hydroxy-1-[[(1R,2S)-1-hydroxy-1-[(2R)-2-(hydroxymethyl)oxiran-2-yl]-4-methylpentan-2-yl]amino]-1-oxopropan-2-yl]-7-methyloctanamide

Drug info:

PubChemData

Smile

C([C@H](C(C(C(=O)CO)O)O)O)S

DOS

IR

Vibrations