Geometry & MOs

Info

ID:	277660
PubChem CID:	103830153
Reduced:	FN2O2H13C14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	328.055149
ΔH_f, kcal/mol:	-91.63
Dipole, Da:	4.32
IP(EA), eV:	-9.41(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1,1-dioxo-1,4-thiazepan-4-yl)sulfonylmethyl]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1)NC(=O)C2=C(C=C(C=C2)F)O)C

DOS

IR

Vibrations