Geometry & MOs

Info

ID:	165241
PubChem CID:	74520394
Reduced:	O4N6C25H40 (1)
Stoich.:	A4B6C25D40 (1)
Weight, g/mol:	350.098352
ΔH_f, kcal/mol:	-161.79
Dipole, Da:	5.89
IP(EA), eV:	-8.51(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[1-(1-propan-2-yltetrazol-5-yl)sulfanylethyl]-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCCN(C1C(N(C(=O)NC1=O)CC(C)C)N)C(=O)CN2CCN(CC2)C3=CC=CC=C3OC

DOS

IR

Vibrations