Geometry & MOs

Info

ID:

127644

PubChem CID:

51009906

Reduced:

ClOC11H19 (1)

Stoich.:

ABC11D19 (1)

Weight, g/mol:

699.223886

ΔHf, kcal/mol:

-61.19

Dipole, Da:

2.81

IP(EA), eV:

 -9.93(0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,12R)-23-(2-methylpropyl)-7,8,18,19-tetraphenyl-3,14-dithia-5,6,11,16,17,22,23-heptazahexacyclo[10.10.1.02,10.04,9.013,21.015,20]tricosa-2(10),4,6,8,13(21),15,17,19-octaene

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2C[C@@H](C2(C)C)C[C@H]1OCCl

DOS

IR

Vibrations