Geometry & MOs

Info

ID:	121493
PubChem CID:	50770606
Reduced:	FOS2N4H17C22 (1)
Stoich.:	ABC2D4E17F22 (1)
Weight, g/mol:	448.102768
ΔH_f, kcal/mol:	49.48
Dipole, Da:	3.1
IP(EA), eV:	-8.81(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(2-methoxyphenyl)methyl]-12-[(3-methylphenyl)methylsulfanyl]-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN2C(=O)C3=C(C=CS3)N4C2=NN=C4SCC5=CC=C(C=C5)F

DOS

IR

Vibrations