Geometry & MOs

Info

ID:	366776
PubChem CID:	127320313
Reduced:	NS2O3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	355.167811
ΔH_f, kcal/mol:	-103.72
Dipole, Da:	3.63
IP(EA), eV:	-9.14(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[4-(1H-imidazol-5-ylsulfonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1C2=C(CCN1S(=O)(=O)C3CCOC3)SC=C2

DOS

IR

Vibrations