Geometry & MOs

Info

ID:

224090

PubChem CID:

85338093

Reduced:

ClO3N5C32H48 (1)

Stoich.:

AB3C5D32E48 (1)

Weight, g/mol:

598.29374

ΔHf, kcal/mol:

-158.25

Dipole, Da:

2.92

IP(EA), eV:

 -8.82(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethyl-9-methyl-13-[2-[[1-[(1-oxidopyridin-1-ium-3-yl)methyl]-2,2-dioxo-3,4-dihydro-2lambda6,1-benzothiazin-5-yl]oxy]ethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadecan-10-one

Drug info:

PubChemData

Smile

CN1CCNCC1C(=O)NC(CC2=CC=C(C=C2)Cl)C(=O)N3CCC(CC3)(C4CCCCC4)C(=O)NC5CCCC5

DOS

IR

Vibrations