Geometry & MOs

Info

ID:	62195
PubChem CID:	26717972
Reduced:	N2O2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	-1.82
Dipole, Da:	1.37
IP(EA), eV:	-9.23(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-(butylsulfamoyl)phenyl]-3-[4-(cyanomethoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

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CC[C@@H](CNC(=O)/C=C/C1=CC=C(C=C1)OCC#N)C2=CC=CC=C2

DOS

IR

Vibrations