Geometry & MOs

Info

ID:	145714
PubChem CID:	53580951
Reduced:	ClOSN4H13C16 (1)
Stoich.:	ABCD4E13F16 (1)
Weight, g/mol:	345.125946
ΔH_f, kcal/mol:	56.23
Dipole, Da:	8.17
IP(EA), eV:	-8.98(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)/C=C/C(=O)NC2=C(C=NN2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations