Geometry & MOs

Info

ID:	150502
PubChem CID:	53790194
Reduced:	N5O6C25H43 (1)
Stoich.:	A5B6C25D43 (1)
Weight, g/mol:	354.078662
ΔH_f, kcal/mol:	-300.65
Dipole, Da:	7.54
IP(EA), eV:	-9.64(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1,1,3-tricyano-6-methoxyhexa-1,3,5-trien-2-yl)phenyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCCC(CCC)C(=O)N[C@@H](CC(=O)OC)C(=O)N1CCC[C@@H]1C(=O)NC2CCCC([C@@H]2O)C(=N)N

DOS

IR

Vibrations