Geometry & MOs

Info

ID:

151211

PubChem CID:

53790911

Reduced:

SO4N5C34H35 (1)

Stoich.:

AB4C5D34E35 (1)

Weight, g/mol:

504.345089

ΔHf, kcal/mol:

-46.33

Dipole, Da:

4.74

IP(EA), eV:

 -8.35(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,6R,10S,11R,13S,14R,15R)-14-decoxy-1,6,13-trihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyltetracyclo[8.5.0.02,6.011,13]pentadeca-2,8-dien-5-one

Drug info:

PubChemData

Smile

CCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)OC)C=C(C=C2C)NC(=NS(=O)(=O)C5=CC=CC=C5)N(C)C

DOS

IR

Vibrations