Geometry & MOs

Info

ID:	407283
PubChem CID:	135079748
Reduced:	OSiC17H28 (1)
Stoich.:	ABC17D28 (1)
Weight, g/mol:	372.150764
ΔH_f, kcal/mol:	-93.88
Dipole, Da:	0.92
IP(EA), eV:	-9.17(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-diazonio-4-(1-methylcyclohexa-2,5-dien-1-yl)-1-(2,4,6-trimethylphenyl)sulfonylbut-1-en-2-olate

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)OC(C)/C(=C/C1=CC=CC=C1)/C

DOS

IR

Vibrations