Geometry & MOs

Info

ID:

441422

PubChem CID:

135234593

Reduced:

FON5C24H36 (1)

Stoich.:

ABC5D24E36 (1)

Weight, g/mol:

693.108701

ΔHf, kcal/mol:

-51.06

Dipole, Da:

1.93

IP(EA), eV:

 -8.45(-0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

25-[2-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-2-oxoethyl]-25-methyl-7-oxo-10-oxa-14-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosa-1,3,5,8,15(24),16,18(23),19,21-nonaene-6,20-disulfonic acid

Drug info:

PubChemData

Smile

CCCCC(CC1=CNC2C1C=C(C=C2)F)NC(=O)/C(=C/N=C(C)N3CCNCC3)/C

DOS

IR

Vibrations