Geometry & MOs

Info

ID:	305968
PubChem CID:	124976358
Reduced:	SN3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	207.083019
ΔH_f, kcal/mol:	48.1
Dipole, Da:	4.26
IP(EA), eV:	-8.24(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-7-[(3S)-pyrrolidin-3-yl]imidazo[5,1-b][1,3]thiazole

Drug info:

PubChemData

Smile

CC1=NC(=C2N1C=CS2)[C@@H]3CCNC3

DOS

IR

Vibrations