Geometry & MOs

Info

ID:	21978
PubChem CID:	594505
Reduced:	SCl2N5H7C9 (1)
Stoich.:	AB2C5D7E9 (1)
Weight, g/mol:	286.979922
ΔH_f, kcal/mol:	100.46
Dipole, Da:	5.05
IP(EA), eV:	-8.85(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3,4-dichlorophenyl)methylsulfanyl]-1,2,4,5-tetrazin-3-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CSC2=NN=C(N=N2)N)Cl)Cl

DOS

IR

Vibrations