Geometry & MOs

Info

ID:	307765
PubChem CID:	125309006
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	477.047394
ΔH_f, kcal/mol:	-78.14
Dipole, Da:	5.27
IP(EA), eV:	-9.33(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(6R)-5-(3-chloro-4-methoxyphenyl)-4-oxo-6H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl]-N-(2,4-difluorophenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=NC(=NC(=O)C1)N2[C@@H](CC(=N2)C)NC(=O)OCC

DOS

IR

Vibrations