Geometry & MOs

Info

ID:

215356

PubChem CID:

85084589

Reduced:

ClPO12C41H78 (1)

Stoich.:

ABC12D41E78 (1)

Weight, g/mol:

832.332828

ΔHf, kcal/mol:

-768.18

Dipole, Da:

9.02

IP(EA), eV:

 -10.07(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[11,16-diethyl-12,17,21,26-tetramethyl-4-(4-methylphenyl)sulfonyloxy-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13,15,17,19-decaen-22-yl]propyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)Cl)O)O)O)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations