Geometry & MOs

Info

ID:	33985
PubChem CID:	7889276
Reduced:	N2S2O3H10C14 (1)
Stoich.:	A2B2C3D10E14 (1)
Weight, g/mol:	357.060569
ΔH_f, kcal/mol:	-30.42
Dipole, Da:	2.83
IP(EA), eV:	-9.08(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)phenyl]propanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)CSC2=NC=NC3=C2C=CS3)O)O

DOS

IR

Vibrations