Geometry & MOs

Info

ID:	404098
PubChem CID:	135064960
Reduced:	FO2H13C16 (1)
Stoich.:	AB2C13D16 (1)
Weight, g/mol:	328.109293
ΔH_f, kcal/mol:	-47.78
Dipole, Da:	1.79
IP(EA), eV:	-9.86(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-N-(1-oxooctan-3-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1(C(O1)C(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3

DOS

IR

Vibrations