Geometry & MOs

Info

ID:	300437
PubChem CID:	121281600
Reduced:	BrN2O2F3H10C13 (1)
Stoich.:	AB2C2D3E10F13 (1)
Weight, g/mol:	433.130757
ΔH_f, kcal/mol:	-196.81
Dipole, Da:	3.25
IP(EA), eV:	-9.98(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbonic acid;N-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3,4-dihydro-2H-thieno[2,3-b]pyran-6-yl]cyclohexene-1-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=CN=C(N1CC2=CC=C(C=C2)C(F)(F)F)Br

DOS

IR

Vibrations