Geometry & MOs

Info

ID:	60577
PubChem CID:	26697216
Reduced:	SN2O4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	-86.65
Dipole, Da:	5.63
IP(EA), eV:	-8.81(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[3-(tert-butylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NCC3=CC=CO3

DOS

IR

Vibrations