Geometry & MOs

Info

ID:	65970
PubChem CID:	46484788
Reduced:	ClFSN3O7H17C18 (1)
Stoich.:	ABCD3E7F17G18 (1)
Weight, g/mol:	397.074385
ΔH_f, kcal/mol:	-196.17
Dipole, Da:	7.77
IP(EA), eV:	-9.62(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluoro-4-nitrophenoxy)-N-[[3-(methanesulfonamido)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)NC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])F)Cl

DOS

IR

Vibrations