Geometry & MOs

Info

ID:

225216

PubChem CID:

85747962

Reduced:

NO6H37C41 (1)

Stoich.:

AB6C37D41 (1)

Weight, g/mol:

777.309038

ΔHf, kcal/mol:

-118.58

Dipole, Da:

2.13

IP(EA), eV:

 -7.9(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(4-carboxyoxyphenyl)phenyl] [3-[2-[4-(4-methyl-N-[4-[2-(6-propan-2-ylidenecyclohexa-2,4-dien-1-yl)ethenyl]phenyl]anilino)phenyl]ethenyl]phenyl] carbonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C=CC3=CC=CC=C3)C4=CC=C(C=C4)C=CC5=CC(=CC=C5)OC(=O)OCCCCOC(=O)O

DOS

IR

Vibrations