Geometry & MOs

Info

ID:	446460
PubChem CID:	135275155
Reduced:	S3N4H14C26 (1)
Stoich.:	A3B4C14D26 (1)
Weight, g/mol:	324.16602
ΔH_f, kcal/mol:	190.12
Dipole, Da:	0.77
IP(EA), eV:	-8.62(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethyl-5-phenylhexan-2-yl)-2,1,3-benzothiadiazole

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C#N)SC(=C2)C3=C(C(=C(C4=CSC=C43)C5=CC6=C(S5)C=C(C=C6)C#N)N)N

DOS

IR

Vibrations