Geometry & MOs

Info

ID:

121905

PubChem CID:

50786263

Reduced:

FOSN6H19C23 (1)

Stoich.:

ABCD6E19F23 (1)

Weight, g/mol:

474.129652

ΔHf, kcal/mol:

61.99

Dipole, Da:

6.34

IP(EA), eV:

 -8.9(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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]-N-(3-methylsulfanylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN3C=CN4C(=NN=C4SCC(=O)NC5=CC=C(C=C5)F)C3=C2)C

DOS

IR

Vibrations