Geometry & MOs

Info

ID:

444951

PubChem CID:

135264038

Reduced:

O3N5C32H37 (1)

Stoich.:

A3B5C32D37 (1)

Weight, g/mol:

848.26062

ΔHf, kcal/mol:

-12.47

Dipole, Da:

4.11

IP(EA), eV:

 -8.87(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclopropyl 3-[(3R)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]-4-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylpropanoate

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)C(CC(=O)N(C)OC)C3=CC4=C(CCN(C4)C(=O)C5=CC(=C(C=C5)C)C)C=C3)C)N=N1

DOS

IR

Vibrations