Geometry & MOs

Info

ID:	427353
PubChem CID:	135157527
Reduced:	NO5C27H43 (1)
Stoich.:	AB5C27D43 (1)
Weight, g/mol:	544.408752
ΔH_f, kcal/mol:	-265.26
Dipole, Da:	3.59
IP(EA), eV:	-8.78(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(tert-butylamino)-6-[[(1S,2R,3S,4R,5R)-5-dodecoxy-2,3,4-trihydroxycyclohexanecarbonyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CC=C(C=C1)OC(C)(C)CC(C)(C)OC(=O)NC(C(C)C)C(C)(C)C

DOS

IR

Vibrations