Geometry & MOs

Info

ID:	252740
PubChem CID:	103113682
Reduced:	N2F3O4C11H11 (1)
Stoich.:	A2B3C4D11E11 (1)
Weight, g/mol:	222.103814
ΔH_f, kcal/mol:	-240.86
Dipole, Da:	4.53
IP(EA), eV:	-10.35(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-(ethylsulfonylamino)-N-methylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations