Geometry & MOs

Info

ID:	157862
PubChem CID:	56437640
Reduced:	N3O3C20H33 (1)
Stoich.:	A3B3C20D33 (1)
Weight, g/mol:	439.134797
ΔH_f, kcal/mol:	-175.26
Dipole, Da:	1.74
IP(EA), eV:	-9.59(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)CCC(=O)NCC(=O)NNC(=O)CC12CC3CC(C1)CC(C3)C2

DOS

IR

Vibrations