Geometry & MOs

Info

ID:	263625
PubChem CID:	103384216
Reduced:	O2N3S3C10H17 (1)
Stoich.:	A2B3C3D10E17 (1)
Weight, g/mol:	272.076553
ΔH_f, kcal/mol:	-71.93
Dipole, Da:	3.64
IP(EA), eV:	-8.7(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(thian-4-ylmethylamino)-1,2-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=C(SN=C1N)NCC2CCSCC2

DOS

IR

Vibrations