Geometry & MOs

Info

ID:	39576
PubChem CID:	8141421
Reduced:	S2N3O3H17C20 (1)
Stoich.:	A2B3C3D17E20 (1)
Weight, g/mol:	413.03264
ΔH_f, kcal/mol:	-9.12
Dipole, Da:	3.31
IP(EA), eV:	-8.62(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)sulfanyl-N-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC(=O)NN2C=NC3=C(C2=O)C(=CS3)C4=CC=CS4

DOS

IR

Vibrations