Geometry & MOs

Info

ID:	130131
PubChem CID:	51075007
Reduced:	N3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	333.033876
ΔH_f, kcal/mol:	-56.27
Dipole, Da:	4.36
IP(EA), eV:	-8.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CO1)C(=O)C2=C(NN=C2)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations