Geometry & MOs

Info

ID:	198342
PubChem CID:	79090076
Reduced:	SF2N2O2C10H10 (1)
Stoich.:	AB2C2D2E10F10 (1)
Weight, g/mol:	304.145678
ΔH_f, kcal/mol:	-133.67
Dipole, Da:	4.07
IP(EA), eV:	-10.35(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]butanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#N)S(=O)(=O)NCC(F)F

DOS

IR

Vibrations