Geometry & MOs

Info

ID:	344806
PubChem CID:	127268444
Reduced:	SN3O3C20H31 (1)
Stoich.:	AB3C3D20E31 (1)
Weight, g/mol:	396.138879
ΔH_f, kcal/mol:	-127.27
Dipole, Da:	4.38
IP(EA), eV:	-9.01(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-bis(oxolan-2-ylmethylsulfonyl)-1,4-diazepane

Drug info:

PubChemData

Smile

C1CCC(CC1)CS(=O)(=O)N2CCN(CC2)CC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations