Geometry & MOs

Info

ID:	39568
PubChem CID:	8141391
Reduced:	S2N3O4H11C18 (1)
Stoich.:	A2B3C4D11E18 (1)
Weight, g/mol:	397.055484
ΔH_f, kcal/mol:	-17.36
Dipole, Da:	3.98
IP(EA), eV:	-8.84(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C(=O)NN3C=NC4=C(C3=O)C(=CS4)C5=CC=CS5

DOS

IR

Vibrations