Geometry & MOs

Info

ID:	64549
PubChem CID:	29202821
Reduced:	N3O6C14H17 (1)
Stoich.:	A3B6C14D17 (1)
Weight, g/mol:	445.203528
ΔH_f, kcal/mol:	-147.17
Dipole, Da:	5.14
IP(EA), eV:	-9.97(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

COCCCNC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

DOS

IR

Vibrations