Geometry & MOs

Info

ID:	394424
PubChem CID:	135022979
Reduced:	NSiO3C16H30 (1)
Stoich.:	ABC3D16E30 (1)
Weight, g/mol:	610.262541
ΔH_f, kcal/mol:	-190.62
Dipole, Da:	2.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756171
Charge, e:	0

Chem-info

IUPAC name:

[(3S,9R)-5-oxo-11-phenyl-3-[[(3R,6S)-3,4,5,6-tetramethoxyoxan-2-yl]methoxy]-2,6,10,12-tetraoxatricyclo[7.4.0.03,7]tridecan-8-yl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCCC1C2C3C(=[N+](C1O3)C)CO[Si](O2)(C(C)C)C(C)C

DOS

IR

Vibrations