Geometry & MOs

Info

ID:

441755

PubChem CID:

135243431

Reduced:

NS3H35C39 (1)

Stoich.:

AB3C35D39 (1)

Weight, g/mol:

374.051384

ΔHf, kcal/mol:

94.4

Dipole, Da:

2.42

IP(EA), eV:

 -8.12(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-oxa-15-thiahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene-6,18-dicarbonitrile

Drug info:

PubChemData

Smile

CCCCCCCCC1=CC=C(S1)C2=CC3=C(C=C2)C4=C(S3)C5=C(C=C4)C6=C(C=C5)C7=C(N6)C=C(C=C7)C8=CC=C(S8)C

DOS

IR

Vibrations