Geometry & MOs

Info

ID:	39573
PubChem CID:	8141418
Reduced:	S2N3O3H17C20 (1)
Stoich.:	A2B3C3D17E20 (1)
Weight, g/mol:	411.071134
ΔH_f, kcal/mol:	-9.95
Dipole, Da:	3.85
IP(EA), eV:	-8.8(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(3-methylphenoxy)-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)O[C@@H](C)C(=O)NN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4

DOS

IR

Vibrations