Geometry & MOs

Info

ID:	17091
PubChem CID:	483848
Reduced:	S2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	333.108188
ΔH_f, kcal/mol:	84.69
Dipole, Da:	6.53
IP(EA), eV:	-9.15(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-adamantyl)-5-(4-methylthiadiazol-5-yl)-1,2,4-triazole-3-thiol

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C2=NN=C(N2C3C4CC5CC(C4)CC3C5)S

DOS

IR

Vibrations