Geometry & MOs

Info

ID:	32389
PubChem CID:	7747504
Reduced:	N2F3O5H15C18 (1)
Stoich.:	A2B3C5D15E18 (1)
Weight, g/mol:	413.063462
ΔH_f, kcal/mol:	-256.99
Dipole, Da:	10.31
IP(EA), eV:	-9.87(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-pyridin-2-ylsulfanylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(F)(F)F

DOS

IR

Vibrations