Geometry & MOs

Info

ID:

438065

PubChem CID:

135227578

Reduced:

SN2O6C18H18 (1)

Stoich.:

AB2C6D18E18 (1)

Weight, g/mol:

1286.202366

ΔHf, kcal/mol:

-156.63

Dipole, Da:

3.2

IP(EA), eV:

 -9.04(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[7-[24-(4-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11(16),12,14,18,20,22-undecaen-14-yl]thianthren-1-yl]-2-(9-thia-24-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-24-yl)-[1]benzofuro[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)NO)CC3=CC=C(C=C3)CS(=O)O

DOS

IR

Vibrations