Geometry & MOs

Info

ID:	349489
PubChem CID:	127275276
Reduced:	SN2O2C13H26 (1)
Stoich.:	AB2C2D13E26 (1)
Weight, g/mol:	383.199111
ΔH_f, kcal/mol:	-93.28
Dipole, Da:	3.58
IP(EA), eV:	-9.55(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C1CC1)N(C)S(=O)(=O)NC2CCCCCC2

DOS

IR

Vibrations