Geometry & MOs

Info

ID:

323903

PubChem CID:

126676504

Reduced:

ClSO2N3C13H16 (1)

Stoich.:

ABC2D3E13F16 (1)

Weight, g/mol:

752.43603

ΔHf, kcal/mol:

-20.02

Dipole, Da:

2.65

IP(EA), eV:

 -8.87(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,5R,7S,9S,10R,14R,19S)-4-[5-(4-aminophenyl)-1,2-dihydrotriazol-3-yl]-19-ethyl-3-hydroxy-14-methyl-7-[(2R,4R,5S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy-20-oxatetracyclo[10.10.0.02,10.05,9]docos-11-ene-13,21-dione

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C)OCC2=NN=C(N2C)S(=O)C

DOS

IR

Vibrations