Geometry & MOs

Info

ID:	209375
PubChem CID:	80662116
Reduced:	NSO2C6H10 (2)
Stoich.:	ABC2D6E10 (2)
Weight, g/mol:	263.120467
ΔH_f, kcal/mol:	-161.6
Dipole, Da:	5.14
IP(EA), eV:	-9.28(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)NC1=NC(=CS1)CCCC(=O)OC

DOS

IR

Vibrations