Geometry & MOs

Info

ID:	263562
PubChem CID:	103378594
Reduced:	SN4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	307.121529
ΔH_f, kcal/mol:	57.05
Dipole, Da:	3.81
IP(EA), eV:	-8.54(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-cyclopropyl-5-[3-(1H-1,2,4-triazol-5-yl)propylamino]-1,2-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCC(C1)NC2=C(C(=NS2)N)C3=CC=CC=C3

DOS

IR

Vibrations