Geometry & MOs

Info

ID:

378550

PubChem CID:

134224639

Reduced:

SN2H24C40 (1)

Stoich.:

AB2C24D40 (1)

Weight, g/mol:

373.092521

ΔHf, kcal/mol:

177.69

Dipole, Da:

2.91

IP(EA), eV:

 -8.1(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-thia-18-azaheptacyclo[15.11.0.03,15.04,13.07,12.019,28.020,25]octacosa-1,3(15),4(13),5,7,9,11,16,19(28),20,22,24,26-tridecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)C6=CC7=C(C=C6N5)SC8=C7C=CC9=CC=CC=C98)C1=CC=CC=C12

DOS

IR

Vibrations