Geometry & MOs

Info

ID:	392351
PubChem CID:	135014625
Reduced:	NSiO2C12H20 (2)
Stoich.:	ABC2D12E20 (2)
Weight, g/mol:	648.43899
ΔH_f, kcal/mol:	-229.21
Dipole, Da:	5.58
IP(EA), eV:	-8.5(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-15-[(1S,7S)-2-phenylmethoxy-7-(5-phenylmethoxypentyl)-6,8-dioxabicyclo[3.2.1]octan-5-yl]pentadec-10-enoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@]1(C2=C(C=CC(=C2)OC)N(C1=O)COCC[Si](C)(C)C)CC#N

DOS

IR

Vibrations