Geometry & MOs

Info

ID:	68157
PubChem CID:	46507855
Reduced:	SN4H12C13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	284.130697
ΔH_f, kcal/mol:	93.82
Dipole, Da:	1.66
IP(EA), eV:	-8.6(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSC3=C2N=CN=C3NN

DOS

IR

Vibrations