Geometry & MOs

Info

ID:

314475

PubChem CID:

126621883

Reduced:

NH23C32 (1)

Stoich.:

AB23C32 (1)

Weight, g/mol:

756.223535

ΔHf, kcal/mol:

109.92

Dipole, Da:

1.83

IP(EA), eV:

 -7.95(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-methyl-1-phenyl-3-[4-(3-thia-30-azaoctacyclo[15.15.0.02,14.04,13.05,10.019,31.020,29.023,28]dotriaconta-1(32),2(14),4(13),5,7,9,11,15,17,19(31),20(29),21,23,25,27-pentadecaen-30-yl)phenyl]-[1]benzofuro[3,2-c]pyridine

Drug info:

PubChemData

Smile

CC1=C(C=CC2=CC=CC=C12)C3=C(C4=CC5=C(C=C4C=C3)C6=C(N5)C7=CC=CC=C7C=C6)C

DOS

IR

Vibrations