Geometry & MOs

Info

ID:	133463
PubChem CID:	51530842
Reduced:	F3N4O4H20C21 (1)
Stoich.:	A3B4C4D20E21 (1)
Weight, g/mol:	363.125277
ΔH_f, kcal/mol:	-184.94
Dipole, Da:	2.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.964079
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(N-ethyl-3-methylanilino)ethyl]-2-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NOC(=N2)CCCCCNC(=O)C3=C(N=C(C=C3)C(F)(F)F)[O-]

DOS

IR

Vibrations