Geometry & MOs

Info

ID:	343493
PubChem CID:	127266666
Reduced:	SN2O5C14H22 (1)
Stoich.:	AB2C5D14E22 (1)
Weight, g/mol:	343.100205
ΔH_f, kcal/mol:	-184.72
Dipole, Da:	3.38
IP(EA), eV:	-9.93(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(4-methyl-5-oxo-1,4-diazepan-1-yl)sulfonyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(CCCO)CNS(=O)(=O)C1=C(N=CC=C1)C(=O)OC

DOS

IR

Vibrations