Geometry & MOs

Info

ID:	306193
PubChem CID:	125002507
Reduced:	O3N6C23H30 (1)
Stoich.:	A3B6C23D30 (1)
Weight, g/mol:	298.088832
ΔH_f, kcal/mol:	-80.14
Dipole, Da:	2.16
IP(EA), eV:	-8.21(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-imidazo[5,1-b][1,3]thiazol-7-ylpyrrolidin-1-yl]-pyridin-4-ylmethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C(C1)C(=NC(=N2)[C@@H]3CCN(C3)CC(=O)NC4=CC=C(C=C4)OC)NC

DOS

IR

Vibrations