Geometry & MOs

Info

ID:	130063
PubChem CID:	51074817
Reduced:	ON5H15C16 (1)
Stoich.:	AB5C15D16 (1)
Weight, g/mol:	349.037726
ΔH_f, kcal/mol:	80.62
Dipole, Da:	5.47
IP(EA), eV:	-9.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-N-(2-thiophen-2-ylethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN(N=N2)C(C3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations