Geometry & MOs

Info

ID:	194426
PubChem CID:	78534387
Reduced:	ClS2N3O3H14C17 (1)
Stoich.:	AB2C3D3E14F17 (1)
Weight, g/mol:	398.050733
ΔH_f, kcal/mol:	-54.31
Dipole, Da:	6.11
IP(EA), eV:	-8.97(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)Cl)OC(=O)CSC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations