Geometry & MOs

Info

ID:

378737

PubChem CID:

134224833

Reduced:

NH26C33 (2)

Stoich.:

AB26C33 (2)

Weight, g/mol:

373.092521

ΔHf, kcal/mol:

213.49

Dipole, Da:

1.66

IP(EA), eV:

 -7.76(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

28-thia-14-azaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.021,26]octacosa-1,3(15),4(13),5,7,9,11,16,18(27),19,21,23,25-tridecaene

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC=C(C=C5)N(C6=CC7=CC=CC=C7C=C6)C8=CC9=C(C=C8)C1=CC=CC=C1C9(C)C)C1=CC2=C(C=C1)C1=CC=CC=C1CC2)C

DOS

IR

Vibrations