Geometry & MOs

Info

ID:	381454
PubChem CID:	134972199
Reduced:	NSiO4C23H31 (1)
Stoich.:	ABC4D23E31 (1)
Weight, g/mol:	426.240624
ΔH_f, kcal/mol:	-136.6
Dipole, Da:	2.26
IP(EA), eV:	-9.24(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S,5S,6R)-2,2-dimethyl-5-phenylmethoxy-6-[(2S)-1-phenylmethoxypent-4-en-2-yl]-1,3-dioxan-4-yl]methanol

Drug info:

PubChemData

Smile

CC1(O[C@@H]([C@@H](O1)C=NO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)CO)C

DOS

IR

Vibrations