Geometry & MOs

Info

ID:	44304
PubChem CID:	10502617
Reduced:	NOSC28H29 (1)
Stoich.:	ABCD28E29 (1)
Weight, g/mol:	427.236513
ΔH_f, kcal/mol:	29.38
Dipole, Da:	4.84
IP(EA), eV:	-8.75(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4R,5R,8E)-4,8,11,11-tetramethyl-5-phenylsulfanyl-3-trimethylsilyloxycycloundeca-2,8-diene-1-carbonitrile

Drug info:

PubChemData

Smile

CC1C(=C(C(=O)N1CCCCCSC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations