Geometry & MOs

Info

ID:

32144

PubChem CID:

4266377

Reduced:

ClN3O8C39H58 (1)

Stoich.:

AB3C8D39E58 (1)

Weight, g/mol:

798.368066

ΔHf, kcal/mol:

-292.16

Dipole, Da:

5.24

IP(EA), eV:

 -8.41(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-chloroethyl N-[15,16-bis(4-hydroxybutyl)-12-[(2-methylpropan-2-yl)oxyimino]-4-(2-phenylsulfanylethoxy)-9-prop-2-enoxy-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,13-tetraen-10-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)ON=C1CC(C2(C3C1=CC(C(C3C4=C(O2)C=CC(=C4)OCCN5CC5)CCCCO)CCCCO)OCC=C)N(C)C(=O)OCCCl

DOS

IR

Vibrations