Geometry & MOs

Info

ID:

326808

PubChem CID:

126688236

Reduced:

SN3O5C27H35 (1)

Stoich.:

AB3C5D27E35 (1)

Weight, g/mol:

518.218365

ΔHf, kcal/mol:

-167.01

Dipole, Da:

4.37

IP(EA), eV:

 -8.84(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,3S,5S,16E,18E,21R)-11-chloro-21-hydroxy-12-methoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)CC[C@H]2CC[C@@]3(C2C4CCC5=CC(=O)C=C(C5C4CC3)NOCC(=O)O)C

DOS

IR

Vibrations