Geometry & MOs

Info

ID:	210998
PubChem CID:	80882024
Reduced:	ION3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	326.109585
ΔH_f, kcal/mol:	42.98
Dipole, Da:	3.05
IP(EA), eV:	-9.26(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-4-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1OC2=CC(=CC=C2)I)NC

DOS

IR

Vibrations