Geometry & MOs

Info

ID:	142674
PubChem CID:	53074363
Reduced:	ClSO2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	432.125612
ΔH_f, kcal/mol:	-12.25
Dipole, Da:	0.68
IP(EA), eV:	-9.1(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(4-methoxyphenyl)methyl]-11-[(4-methylphenyl)methyl]-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-triene-7,12-dione

Drug info:

PubChemData

Smile

CC(C)CCN1C(=O)C2=C(C=CS2)N3C1=NN(C3=O)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations