Geometry & MOs

Info

ID:	122387
PubChem CID:	50804434
Reduced:	S2N4O5C21H24 (1)
Stoich.:	A2B4C5D21E24 (1)
Weight, g/mol:	436.136925
ΔH_f, kcal/mol:	-114.99
Dipole, Da:	1.65
IP(EA), eV:	-8.03(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=NN2C(=C1)SCC(=O)NC3CCS(=O)(=O)C3)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations