Geometry & MOs

Info

ID:	132969
PubChem CID:	51454849
Reduced:	FN2O7H21C24 (1)
Stoich.:	AB2C7D21E24 (1)
Weight, g/mol:	438.139548
ΔH_f, kcal/mol:	-177.66
Dipole, Da:	13.2
IP(EA), eV:	-9.22(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(ethylcarbamoyl)-2-[5-ethyl-6-methyl-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-2-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

DOS

IR

Vibrations