Geometry & MOs

Info

ID:

125169

PubChem CID:

50912986

Reduced:

SCl2N3O3H19C27 (1)

Stoich.:

AB2C3D3E19F27 (1)

Weight, g/mol:

806.367299

ΔHf, kcal/mol:

-5.9

Dipole, Da:

5.83

IP(EA), eV:

 -8.65(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,20R,22R,26S,32Z,34R,36S,39S)-9-methoxy-22-methyl-N-(1-methylcyclopropyl)sulfonyl-24,38,40-trioxo-4,23-dioxa-1,6,13,25,37-pentazaheptacyclo[24.13.1.13,39.05,14.07,12.020,22.034,36]hentetraconta-5,7(12),8,10,13,32-hexaene-36-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=NNC4=CC=CC=C43)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations