Geometry & MOs

Info

ID:

52447

PubChem CID:

12015310

Reduced:

O5N6C35H60 (1)

Stoich.:

A5B6C35D60 (1)

Weight, g/mol:

808.422705

ΔHf, kcal/mol:

-196.41

Dipole, Da:

2.28

IP(EA), eV:

 -8.87(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl (11R,16R)-9,18-dihexyl-6,21-dimorpholin-4-yl-7,20-dioxa-13,14-dithia-10,17,22,23-tetrazatricyclo[17.2.1.15,8]tricosa-1(21),5,8(23),19(22)-tetraene-11,16-dicarboxylate

Drug info:

PubChemData

Smile

CCCCCCC1C2=NC(=C(O2)N3CCOCC3)CCCC4=C(OC(=N4)C(NCCOCCN1)CCCCCC)N5CCOCC5

DOS

IR

Vibrations