Geometry & MOs

Info

ID:	28122
PubChem CID:	825718
Reduced:	O3C20H30 (1)
Stoich.:	A3B20C30 (1)
Weight, g/mol:	192.046967
ΔH_f, kcal/mol:	-183.79
Dipole, Da:	4.11
IP(EA), eV:	-9.61(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-N-phenyl-1,2,4-thiadiazole-3,5-diamine

Drug info:

PubChemData

Smile

CC(=O)O[C@@]12C[C@@](CC3=C1C(=O)CC(C3)(C)C)(CC(C2)(C)C)C

DOS

IR

Vibrations