Geometry & MOs

Info

ID:	165987
PubChem CID:	74621737
Reduced:	ON4C19H26 (1)
Stoich.:	AB4C19D26 (1)
Weight, g/mol:	386.050733
ΔH_f, kcal/mol:	-15.17
Dipole, Da:	7.65
IP(EA), eV:	-8.35(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2CC(=O)NC3CCCC4C3NNC4)C

DOS

IR

Vibrations