Geometry & MOs

Info

ID:	363333
PubChem CID:	127310845
Reduced:	S2O4N5C15H19 (1)
Stoich.:	A2B4C5D15E19 (1)
Weight, g/mol:	316.135782
ΔH_f, kcal/mol:	-99.9
Dipole, Da:	7.25
IP(EA), eV:	-9.5(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclobutylpyrrolidin-1-yl)-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC(C(=O)N1CCS(=O)(=O)CC1)NC(=O)C2=CN=C(S2)C3=CN(N=C3)C

DOS

IR

Vibrations