Geometry & MOs

Info

ID:	382807
PubChem CID:	134974169
Reduced:	SiN2O3C44H55 (1)
Stoich.:	AB2C3D44E55 (1)
Weight, g/mol:	458.361149
ΔH_f, kcal/mol:	-83.12
Dipole, Da:	4.93
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.039168
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4S,6S)-4,6-dimethyl-2-tri(propan-2-yl)silyloxyoxan-3-yl]oxy-tri(propan-2-yl)silane

Drug info:

PubChemData

Smile

CCC1=CC(=C(C(=C1OC)C[N+]2=CC=C(C=C2)C3=CC=NC=C3)OCC)C(CC)CCCO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C

DOS

IR

Vibrations