Geometry & MOs

Info

ID:

121495

PubChem CID:

50770668

Reduced:

ClOS2N4H19C23 (1)

Stoich.:

ABC2D4E19F23 (1)

Weight, g/mol:

506.063796

ΔHf, kcal/mol:

81.12

Dipole, Da:

4.68

IP(EA), eV:

 -8.9(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-[(2-chlorophenyl)methyl]-6-oxo-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl]-N-(2-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC(CN1C(=O)C2=C(C=CS2)N3C1=NN=C3SCC4=CC=C(C=C4)Cl)C5=CC=CC=C5

DOS

IR

Vibrations