Geometry & MOs

Info

ID:	327590
PubChem CID:	126690425
Reduced:	SN2O11C33H44 (1)
Stoich.:	AB2C11D33E44 (1)
Weight, g/mol:	327.31373
ΔH_f, kcal/mol:	-426.72
Dipole, Da:	9.87
IP(EA), eV:	-9.11(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-3-(methylamino)-5-[(5S)-4-methyl-6-propyldecan-5-yl]oxan-4-ol

Drug info:

PubChemData

Smile

CCC(C)CC(=O)O[C@@H]1[C@H](C(=O)OC[C@@H](C(=CO)O[C@H]1S)NC(=O)C2=NCCC(=C2OCOC(=O)C(C)C)OC)CC3=CC=CC=C3

DOS

IR

Vibrations