Geometry & MOs

Info

ID:

121915

PubChem CID:

50786490

Reduced:

FOSN6H19C23 (1)

Stoich.:

ABCD6E19F23 (1)

Weight, g/mol:

456.173231

ΔHf, kcal/mol:

67.62

Dipole, Da:

3.45

IP(EA), eV:

 -9.05(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=NN3C=CN4C(=NN=C4SCC(=O)NC5=CC=CC=C5F)C3=C2

DOS

IR

Vibrations