Geometry & MOs

Info

ID:	172053
PubChem CID:	75459843
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	400.182064
ΔH_f, kcal/mol:	0.85
Dipole, Da:	4.07
IP(EA), eV:	-8.93(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2-ethyl-6-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCNC(=O)CN1CCN(CC1)C2=NC=NC3=CC=CC=C32

DOS

IR

Vibrations