Geometry & MOs

Info

ID:	127368
PubChem CID:	51000376
Reduced:	ClNSO4H6C8 (1)
Stoich.:	ABCD4E6F8 (1)
Weight, g/mol:	354.216809
ΔH_f, kcal/mol:	-137.51
Dipole, Da:	7.04
IP(EA), eV:	-10.15(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[7-(benzylamino)-3-propan-2-yl-2H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]butan-1-ol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1S(=O)(=O)Cl)OC(=O)N2

DOS

IR

Vibrations