Geometry & MOs

Info

ID:	263583
PubChem CID:	103379798
Reduced:	ClSO2N3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	322.128589
ΔH_f, kcal/mol:	-45.83
Dipole, Da:	3.97
IP(EA), eV:	-8.54(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-N-methyl-5-N-(3-methylcyclohexyl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazole-3,5-diamine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SN=C1N)N(C)CC2=CC(=CC=C2)Cl

DOS

IR

Vibrations