Geometry & MOs

Info

ID:	33292
PubChem CID:	7885858
Reduced:	ClSO2N3H16C18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	400.066383
ΔH_f, kcal/mol:	-29.46
Dipole, Da:	4.7
IP(EA), eV:	-8.94(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)N(C=N3)CC(=O)NCC4=CC=CC=C4Cl

DOS

IR

Vibrations