Geometry & MOs

Info

ID:	141399
PubChem CID:	52874062
Reduced:	SO4N5C11H17 (1)
Stoich.:	AB4C5D11E17 (1)
Weight, g/mol:	435.124422
ΔH_f, kcal/mol:	-50.05
Dipole, Da:	4.77
IP(EA), eV:	-9.15(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-6-methyl-4-[(3S)-3-[(sulfamoylamino)methyl]piperidin-1-yl]pyrazolo[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=C(C=CC=N2)[N+](=O)[O-])CNS(=O)(=O)N

DOS

IR

Vibrations