Geometry & MOs

Info

ID:	394827
PubChem CID:	135023880
Reduced:	N2O2C12H19 (1)
Stoich.:	A2B2C12D19 (1)
Weight, g/mol:	638.2427
ΔH_f, kcal/mol:	-69.19
Dipole, Da:	2.8
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.023484
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,5S)-5-[(E,1S)-1-bromohex-3-enyl]-2-[4-(oxan-2-yloxy)but-2-ynyl]oxolan-3-yl]oxy-tert-butyl-diphenylsilane

Drug info:

PubChemData

Smile

CN(C)C1=CC=[N+](C=C1)C(=O)CCCCO

DOS

IR

Vibrations