Geometry & MOs

Info

ID:	233208
PubChem CID:	89449287
Reduced:	F2N2C7H8 (1)
Stoich.:	A2B2C7D8 (1)
Weight, g/mol:	506.097014
ΔH_f, kcal/mol:	-81.27
Dipole, Da:	4.68
IP(EA), eV:	-8.92(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-[2-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]ethynyl]thieno[3,2-b]thiophen-5-yl]cyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N)C(N)(F)F

DOS

IR

Vibrations