Geometry & MOs

Info

ID:	402253
PubChem CID:	135055223
Reduced:	O5C21H32 (1)
Stoich.:	A5B21C32 (1)
Weight, g/mol:	491.285801
ΔH_f, kcal/mol:	-222.67
Dipole, Da:	2.13
IP(EA), eV:	-9.25(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'E,3R)-4-methylidene-1-(4-methylphenyl)sulfonylspiro[2H-quinoline-3,3'-cyclopentadecene]

Drug info:

PubChemData

Smile

CC(C)/C/1=C/[C@@H]2CC(C[C@@]2(C/C=C(\C1)/COC)C)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations