Geometry & MOs

Info

ID:	297824
PubChem CID:	117633140
Reduced:	NSO4C13H21 (1)
Stoich.:	ABC4D13E21 (1)
Weight, g/mol:	578.414231
ΔH_f, kcal/mol:	-140.07
Dipole, Da:	2.25
IP(EA), eV:	-9.26(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4R)-3,4-dihydroxy-1-[(2S,4S,5S)-3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]oxyhexan-2-yl]urea

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2CCC1(C3C2O3)CCOS

DOS

IR

Vibrations