Geometry & MOs

Info

ID:	440703
PubChem CID:	135231047
Reduced:	SC9H18 (1)
Stoich.:	AB9C18 (1)
Weight, g/mol:	530.196743
ΔH_f, kcal/mol:	-45.12
Dipole, Da:	2.15
IP(EA), eV:	-8.36(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(32Z,34Z)-31-methylidene-2,11,20,29,37,38,39,40-octazaoctacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27]tetraconta-1(37),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,29,32,34-octadecaene

Drug info:

PubChemData

Smile

CC1CCC(S1)C(C)(C)C

DOS

IR

Vibrations