Geometry & MOs

Info

ID:

218815

PubChem CID:

85090019

Reduced:

SF3N3O3H22C26 (1)

Stoich.:

AB3C3D3E22F26 (1)

Weight, g/mol:

513.229742

ΔHf, kcal/mol:

-200.18

Dipole, Da:

4.15

IP(EA), eV:

 -8.94(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl 15-ethyl-5-(3-methoxypropylsulfamoyl)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18),16-pentaene-17-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC1C(SC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)F)NC(=O)CC4=CC(=CC(=C4)F)F

DOS

IR

Vibrations