Geometry & MOs

Info

ID:

436314

PubChem CID:

135198832

Reduced:

ClO3N7C24H28 (1)

Stoich.:

AB3C7D24E28 (1)

Weight, g/mol:

734.340947

ΔHf, kcal/mol:

-43.33

Dipole, Da:

5.28

IP(EA), eV:

 -8.65(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-N-[1-[6-[2-[4-(22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2(7),3,8,10,12,15,17,19,21-decaen-21-yl)phenyl]quinolin-6-yl]-3-methylpyridin-2-yl]ethenyl]-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-imine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=NC3=C(C=C(C=C3)Cl)C(=N2)NC4=CN(C=N4)C5CC5

DOS

IR

Vibrations