Geometry & MOs

Info

ID:	361352
PubChem CID:	127302661
Reduced:	SO2N5C16H19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	373.103103
ΔH_f, kcal/mol:	14.41
Dipole, Da:	5.11
IP(EA), eV:	-8.99(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methylpyrazol-4-yl)-3-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC1C2=NC=CC(=N2)N3CCN(CC3)S(=O)(=O)C4=CN=CC=C4

DOS

IR

Vibrations