Geometry & MOs

Info

ID:

121903

PubChem CID:

50786172

Reduced:

SO2N6C27H28 (1)

Stoich.:

AB2C6D27E28 (1)

Weight, g/mol:

500.199445

ΔHf, kcal/mol:

53.81

Dipole, Da:

5.86

IP(EA), eV:

 -8.65(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[11-(4-butoxyphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaen-5-yl]sulfanyl]-N-(3-ethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C2=NN3C=CN4C(=NN=C4SCC(=O)NC5=C(C=CC(=C5)C)C)C3=C2

DOS

IR

Vibrations