Geometry & MOs

Info

ID:	157171
PubChem CID:	56422219
Reduced:	FNOH6C7 (3)
Stoich.:	ABCD6E7 (3)
Weight, g/mol:	462.113058
ΔH_f, kcal/mol:	-185.88
Dipole, Da:	6.31
IP(EA), eV:	-8.85(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[3-(2-methoxy-2-oxoethyl)sulfanylpropanoyl]piperazin-1-yl]sulfonyl-2,5-dimethylfuran-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NCC3=C4C(=CC=C3)OCCO4)C(F)(F)F

DOS

IR

Vibrations