Geometry & MOs

Info

ID:	366778
PubChem CID:	127320315
Reduced:	SN3O3C16H29 (1)
Stoich.:	AB3C3D16E29 (1)
Weight, g/mol:	359.187878
ΔH_f, kcal/mol:	-126.14
Dipole, Da:	3.99
IP(EA), eV:	-8.85(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[4-(oxolan-3-ylsulfonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)CN2CCN(CC2)S(=O)(=O)CC3CC3

DOS

IR

Vibrations