Geometry & MOs

Info

ID:	157013
PubChem CID:	56405300
Reduced:	SO2N4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	421.183541
ΔH_f, kcal/mol:	-68.06
Dipole, Da:	5.69
IP(EA), eV:	-8.34(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[ethyl(propan-2-yl)amino]ethyl]-4-[(4-fluoro-3-methylphenyl)sulfonylamino]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C)NC(=O)NCCC2=CSC(=N2)C(C)C

DOS

IR

Vibrations