Geometry & MOs

Info

ID:

439115

PubChem CID:

135228879

Reduced:

O2N3C31H39 (1)

Stoich.:

A2B3C31D39 (1)

Weight, g/mol:

521.361742

ΔHf, kcal/mol:

-61.21

Dipole, Da:

12.19

IP(EA), eV:

 -8.39(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,2E)-5-[4-[(Z)-1-amino-3-(1-aminohexan-3-ylimino)prop-1-en-2-yl]-2-(3,3-dimethyl-2-methylidenebutyl)-5-methoxyphenyl]-2-ethylidene-3-methylidenehex-4-enoic acid

Drug info:

PubChemData

Smile

CCCN(CCC)C1=NC=C(C=C1)C2=CC3=C(C=C2C)C4=CC(=O)C(=CN4C(C3)C(C)(C)C)C(=O)C

DOS

IR

Vibrations