Geometry & MOs

Info

ID:

168425

PubChem CID:

74965679

Reduced:

PN6O7C22H25 (1)

Stoich.:

AB6C7D22E25 (1)

Weight, g/mol:

1035.431479

ΔHf, kcal/mol:

-233.02

Dipole, Da:

6.04

IP(EA), eV:

 -9.04(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-benzyl-13-hydroxy-12-propan-2-yl-2-(4-tritylsulfanylbut-1-enyl)-9-(tritylsulfanylmethyl)-1-oxa-5,8,11-triazacyclopentadecane-4,7,10,15-tetrone

Drug info:

PubChemData

Smile

CC(C(=O)OC)NP(=O)(OCCOCN1C=NC2C1=NC(=NC2=O)N)OC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations