Geometry & MOs

Info

ID:	344790
PubChem CID:	127268411
Reduced:	NSO5C20H23 (1)
Stoich.:	ABC5D20E23 (1)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-145.91
Dipole, Da:	7.0
IP(EA), eV:	-9.09(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-4-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1,4-diazepane

Drug info:

PubChemData

Smile

C1CN(CCC1OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3OCCO4

DOS

IR

Vibrations