Geometry & MOs

Info

ID:	190608
PubChem CID:	78029907
Reduced:	FN2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	584.231808
ΔH_f, kcal/mol:	-102.78
Dipole, Da:	3.35
IP(EA), eV:	-9.3(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[1-[7-amino-6-methylsulfonyl-3-(6-phenylpyridin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]pentan-3-yl]-N-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC(=C(CN1C(=O)C2=CC=CC=C2C1=O)F)CN

DOS

IR

Vibrations