Geometry & MOs

Info

ID:

121901

PubChem CID:

50786166

Reduced:

FOSN6H21C24 (1)

Stoich.:

ABCD6E21F24 (1)

Weight, g/mol:

506.05244

ΔHf, kcal/mol:

55.7

Dipole, Da:

5.1

IP(EA), eV:

 -8.99(-1.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-bromophenyl)-2-[[11-(2,5-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=C(C=C(C=C1)C2=NN3C=CN4C(=NN=C4SCC(=O)NC5=CC(=C(C=C5)C)F)C3=C2)C

DOS

IR

Vibrations