Geometry & MOs

Info

ID:	350137
PubChem CID:	127277215
Reduced:	SN3O3C20H29 (1)
Stoich.:	AB3C3D20E29 (1)
Weight, g/mol:	380.176979
ΔH_f, kcal/mol:	-118.81
Dipole, Da:	8.44
IP(EA), eV:	-8.55(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)pyrrolidin-2-yl]methyl]piperidine

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2S(=O)(=O)C3=CC=C(C=C3)N4CCCC4=O

DOS

IR

Vibrations