Geometry & MOs

Info

ID:	122383
PubChem CID:	50804113
Reduced:	N2O3C26H28 (1)
Stoich.:	A2B3C26D28 (1)
Weight, g/mol:	462.172562
ΔH_f, kcal/mol:	-78.97
Dipole, Da:	3.98
IP(EA), eV:	-8.62(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)C2CCCN(C2)C(=O)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations