Geometry & MOs

Info

ID:	263623
PubChem CID:	103384048
Reduced:	SO2N5C11H15 (1)
Stoich.:	AB2C5D11E15 (1)
Weight, g/mol:	322.128589
ΔH_f, kcal/mol:	-19.13
Dipole, Da:	3.83
IP(EA), eV:	-8.97(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-tert-butylpyrrolidin-1-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-3-amine

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CCNC2=C(C(=NS2)N)C#N

DOS

IR

Vibrations