Geometry & MOs

Info

ID:

381699

PubChem CID:

134972504

Reduced:

N2S2O5C18H20 (1)

Stoich.:

A2B2C5D18E20 (1)

Weight, g/mol:

449.16585

ΔHf, kcal/mol:

-125.63

Dipole, Da:

6.05

IP(EA), eV:

 -9.11(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,8Z,12S,20R)-4,4-dimethoxy-2-methyl-5-trimethylsilyloxy-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,13,15,18-tetraen-6,10-diyn-17-one

Drug info:

PubChemData

Smile

CC(C)OC(=O)N(C(=O)OC(C)C)/N=C(/C1=CC=CS1)\C(=O)C2=CC=CS2

DOS

IR

Vibrations