Geometry & MOs

Info

ID:	194425
PubChem CID:	78534386
Reduced:	S2N3O3C14H15 (1)
Stoich.:	A2B3C3D14E15 (1)
Weight, g/mol:	407.016511
ΔH_f, kcal/mol:	-54.46
Dipole, Da:	5.14
IP(EA), eV:	-9.33(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1CC1)OC(=O)CSC2=NC=NC3=C2C=CS3

DOS

IR

Vibrations