Geometry & MOs

Info

ID:	44297
PubChem CID:	10502577
Reduced:	ClN2S2O5H15C17 (1)
Stoich.:	AB2C2D5E15F17 (1)
Weight, g/mol:	426.124739
ΔH_f, kcal/mol:	-87.81
Dipole, Da:	9.58
IP(EA), eV:	-8.84(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2-phenyl-1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethanol

Drug info:

PubChemData

Smile

CC1=NOC(=C1Cl)NS(=O)(=O)C2=C(SC=C2)C(=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations