Geometry & MOs

Info

ID:	60024
PubChem CID:	26665147
Reduced:	S2N3O4C23H25 (1)
Stoich.:	A2B3C4D23E25 (1)
Weight, g/mol:	482.131171
ΔH_f, kcal/mol:	-104.03
Dipole, Da:	4.96
IP(EA), eV:	-8.71(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-benzamidophenyl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4S3)S(=O)(=O)N5CCOCC5

DOS

IR

Vibrations