Geometry & MOs

Info

ID:	61309
PubChem CID:	26708085
Reduced:	BrFSN2O4C18H18 (1)
Stoich.:	ABCD2E4F18G18 (1)
Weight, g/mol:	466.076549
ΔH_f, kcal/mol:	-157.19
Dipole, Da:	7.94
IP(EA), eV:	-9.21(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-cyano-6-ethoxyphenyl) (3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C=C(C=C2)Br)F)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations