Geometry & MOs

Info

ID:	53116
PubChem CID:	14709606
Reduced:	ClOSN2H5C6 (2)
Stoich.:	ABCD2E5F6 (2)
Weight, g/mol:	483.938901
ΔH_f, kcal/mol:	-7.24
Dipole, Da:	5.93
IP(EA), eV:	-9.01(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenoxy)methyl]-5-[(3,4-dichlorophenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-7-thione

Drug info:

PubChemData

Smile

CC(=O)NC(=S)NC1=NN=C(S1)COC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations