Geometry & MOs

Info

ID:	349873
PubChem CID:	127276479
Reduced:	S2N3O4C15H25 (1)
Stoich.:	A2B3C4D15E25 (1)
Weight, g/mol:	390.14741
ΔH_f, kcal/mol:	-175.4
Dipole, Da:	8.65
IP(EA), eV:	-9.0(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[2-oxo-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CN2CCS(=O)(=O)CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations