Geometry & MOs

Info

ID:	438976
PubChem CID:	135228737
Reduced:	SN2O2C19H34 (1)
Stoich.:	AB2C2D19E34 (1)
Weight, g/mol:	511.168954
ΔH_f, kcal/mol:	-106.55
Dipole, Da:	2.26
IP(EA), eV:	-8.92(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-6-pyrazol-1-ylthieno[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC(C)N(C)C(=O)[C@@H](C=C)C(C)CCC(C)NC(=O)[C@@H](C=C)SC

DOS

IR

Vibrations