Geometry & MOs

Info

ID:	132153
PubChem CID:	51314365
Reduced:	SN3O3C21H21 (1)
Stoich.:	AB3C3D21E21 (1)
Weight, g/mol:	374.149124
ΔH_f, kcal/mol:	-48.55
Dipole, Da:	5.78
IP(EA), eV:	-9.25(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-anilinophenyl)-2-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)C2=CC=CS2)N3C(=C)C4=CC=CC=C4C3=O

DOS

IR

Vibrations