Geometry & MOs

Info

ID:	397936
PubChem CID:	135031065
Reduced:	NO2C15H21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	411.280485
ΔH_f, kcal/mol:	-61.48
Dipole, Da:	1.95
IP(EA), eV:	-9.34(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-6-methyl-8-(4-prop-1-en-2-yl-1,3-oxazol-2-yl)octan-2-ol

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@H](O1)C=C)CNCC2=CC=CC=C2)C

DOS

IR

Vibrations