Geometry & MOs

Info

ID:	438863
PubChem CID:	135228621
Reduced:	FN2O4C26H27 (1)
Stoich.:	AB2C4D26E27 (1)
Weight, g/mol:	513.184604
ΔH_f, kcal/mol:	-155.97
Dipole, Da:	3.29
IP(EA), eV:	-9.19(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[1-[2-(5-fluoro-2-methoxyphenyl)ethyl]-5-methyl-2,4-dioxo-6-pyrazol-1-ylthieno[2,3-d]pyrimidin-3-yl]-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN2C(CC3=CC(=C(C=C3C2=CC1=O)OC)C4=CN=C(C=C4)F)C(C)(C)C

DOS

IR

Vibrations