Geometry & MOs

Info

ID:

47106

PubChem CID:

10529630

Reduced:

O11C25H32 (1)

Stoich.:

A11B25C32 (1)

Weight, g/mol:

448.17467

ΔHf, kcal/mol:

-423.46

Dipole, Da:

5.14

IP(EA), eV:

 -9.88(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(18S)-5-(2-aminoethyl)-18-ethyl-18-hydroxy-8,20-dioxa-5,13,24-triazahexacyclo[12.11.0.03,12.04,9.015,24.017,22]pentacosa-1,3(12),4(9),10,13,15,17(22)-heptaene-19,23-dione

Drug info:

PubChemData

Smile

CC1=C2[C@H](C(=O)[C@@]3(CC[C@@H]([C@](C3[C@H]4[C@@](C2(C)C)(CC1=O)OC(=O)O4)(COC(=O)C)O)O)C)OC(=O)C

DOS

IR

Vibrations