Geometry & MOs

Info

ID:	141400
PubChem CID:	52874063
Reduced:	ClSO2N7C18H22 (1)
Stoich.:	ABC2D7E18F22 (1)
Weight, g/mol:	435.124422
ΔH_f, kcal/mol:	4.64
Dipole, Da:	6.56
IP(EA), eV:	-8.91(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C=NN2C3=CC(=CC=C3)Cl)C(=N1)N4CCC[C@@H](C4)CNS(=O)(=O)N

DOS

IR

Vibrations