Geometry & MOs

Info

ID:	39572
PubChem CID:	8141411
Reduced:	ClO2S2N3H12C18 (1)
Stoich.:	AB2C2D3E12F18 (1)
Weight, g/mol:	411.071134
ΔH_f, kcal/mol:	28.31
Dipole, Da:	4.55
IP(EA), eV:	-8.77(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)NN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4)Cl

DOS

IR

Vibrations