Geometry & MOs

Info

ID:	198988
PubChem CID:	79184583
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	306.047442
ΔH_f, kcal/mol:	-32.16
Dipole, Da:	2.82
IP(EA), eV:	-8.79(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyanomethyl)-N-(3-fluoro-4-hydroxyphenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1CN(CC1C)CCC(=O)C2=CC=CC=C2

DOS

IR

Vibrations