Geometry & MOs

Info

ID:	67565
PubChem CID:	46506728
Reduced:	ClS2N4O4H21C26 (1)
Stoich.:	AB2C4D4E21F26 (1)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	-49.71
Dipole, Da:	5.88
IP(EA), eV:	-8.49(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-4-yl)-N-(3,4-dimethylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CSC2=NC=C3C(=N2)C4=CC=CC=C4N(S3(=O)=O)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations