Geometry & MOs

Info

ID:

230618

PubChem CID:

87571493

Reduced:

N4O4C23H44 (1)

Stoich.:

A4B4C23D44 (1)

Weight, g/mol:

629.317311

ΔHf, kcal/mol:

-211.32

Dipole, Da:

3.22

IP(EA), eV:

 -8.74(0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCNC(=O)OC(C)(C)C)N1CCC(CC1)N(CC2CCCCC2)C(=O)NOC

DOS

IR

Vibrations