Geometry & MOs

Info

ID:	224863
PubChem CID:	85507135
Reduced:	N2O6C25H28 (1)
Stoich.:	A2B6C25D28 (1)
Weight, g/mol:	388.050923
ΔH_f, kcal/mol:	-129.69
Dipole, Da:	3.02
IP(EA), eV:	-7.85(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]methyl]-5,6-dimethyl-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)C=CC2=CC(=C(C=C2)OCC3=C(ON=C3C)C)OC)OC)OC

DOS

IR

Vibrations