Geometry & MOs

Info

ID:	165250
PubChem CID:	74521510
Reduced:	SO3N8C23H26 (1)
Stoich.:	AB3C8D23E26 (1)
Weight, g/mol:	398.098352
ΔH_f, kcal/mol:	-0.7
Dipole, Da:	4.61
IP(EA), eV:	-9.41(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NN=NN3C4=CC=CC(=C4)C

DOS

IR

Vibrations