Geometry & MOs

Info

ID:

386625

PubChem CID:

134982398

Reduced:

S3H12C22 (2)

Stoich.:

A3B12C22 (2)

Weight, g/mol:

376.219101

ΔHf, kcal/mol:

201.47

Dipole, Da:

3.1

IP(EA), eV:

 -8.24(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2,3,23,24-tetramethylpentacyclo[13.6.2.24,11.05,10.016,21]pentacosa-1(22),2,4(25),5,7,9,11(24),15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C/C(=C(\C)/C1=CC2=C(S1)C=CC3=C2C4=C(S3)C=CC5=C4C6=CC=CC=C6S5)/C7=CC8=C(S7)C=CC9=C8C1=C(S9)C=CC2=C1C1=CC=CC=C1S2

DOS

IR

Vibrations