Geometry & MOs

Info

ID:

230565

PubChem CID:

87571374

Reduced:

NS2F3O7H14C17 (1)

Stoich.:

AB2C3D7E14F17 (1)

Weight, g/mol:

662.365265

ΔHf, kcal/mol:

-330.02

Dipole, Da:

5.4

IP(EA), eV:

 -9.53(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,11-dioxo-5-(2-pyrrolidin-1-ylethylamino)-6-[(Z)-N'-(2-pyrrolidin-1-ylethylamino)carbamimidoyl]-3-[(2-pyrrolidin-1-ylethylamino)carbamoyl]-10-azatricyclo[6.3.2.02,7]trideca-1,3,5,7,12-pentaene-4-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)CC12C3=CC=CC=C3S(=O)(=O)N1C4=CC(=CC=C4)S(=O)(=O)O2.C(F)(F)F

DOS

IR

Vibrations