Geometry & MOs

Info

ID:	368787
PubChem CID:	127330117
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	397.167142
ΔH_f, kcal/mol:	-35.06
Dipole, Da:	7.45
IP(EA), eV:	-8.76(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-(oxolan-3-ylmethoxy)acetamide

Drug info:

PubChemData

Smile

CN1C(=C2CCCC2=N1)NC(=O)C3=CC=C(C=C3)OC4CCCCC4

DOS

IR

Vibrations