Geometry & MOs

Info

ID:	144117
PubChem CID:	53314949
Reduced:	SO3N4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	382.107517
ΔH_f, kcal/mol:	-36.62
Dipole, Da:	5.4
IP(EA), eV:	-9.41(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butyl-5-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC3=CC=CC=C3CS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations