Geometry & MOs

Info

ID:	61566
PubChem CID:	26710566
Reduced:	FN3O3C18H18 (1)
Stoich.:	AB3C3D18E18 (1)
Weight, g/mol:	404.081776
ΔH_f, kcal/mol:	-59.6
Dipole, Da:	7.87
IP(EA), eV:	-8.75(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-fluoro-4-methylphenyl)-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])F

DOS

IR

Vibrations