Geometry & MOs

Info

ID:	391656
PubChem CID:	135007909
Reduced:	NSO2C18H27 (1)
Stoich.:	ABC2D18E27 (1)
Weight, g/mol:	842.476178
ΔH_f, kcal/mol:	-86.11
Dipole, Da:	5.59
IP(EA), eV:	-9.12(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2S,6R,7S,8S)-1,9-bis[[tert-butyl(diphenyl)silyl]oxy]-7-[(4-methoxyphenyl)methoxy]-2,4,6,8-tetramethylnon-4-en-3-ol

Drug info:

PubChemData

Smile

CCC(=C[C@@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C)CC

DOS

IR

Vibrations