Geometry & MOs

Info

ID:

328394

PubChem CID:

126705752

Reduced:

N3S3O10C22H35 (1)

Stoich.:

A3B3C10D22E35 (1)

Weight, g/mol:

447.095634

ΔHf, kcal/mol:

-363.67

Dipole, Da:

8.93

IP(EA), eV:

 -9.37(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(NE,4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-N-pent-3-yn-2-ylidene-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

Drug info:

PubChemData

Smile

CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)/N=C/C(C)OC(=O)C(C)OC(=O)C(C)OC)CCCOC

DOS

IR

Vibrations