Geometry & MOs

Info

ID:	138359
PubChem CID:	52353402
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	362.087118
ΔH_f, kcal/mol:	-104.29
Dipole, Da:	1.45
IP(EA), eV:	-9.07(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-5,6-dimethyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN(CC(=O)NC)C(=O)CCC1=CC=C(C=C1)C(C)(C)C

DOS

IR

Vibrations