Geometry & MOs

Info

ID:	358034
PubChem CID:	127295579
Reduced:	SN2O4C18H32 (1)
Stoich.:	AB2C4D18E32 (1)
Weight, g/mol:	392.176979
ΔH_f, kcal/mol:	-206.37
Dipole, Da:	6.89
IP(EA), eV:	-9.46(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-1-[4-(1,3-dihydro-2-benzofuran-5-ylsulfonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)S(=O)(=O)CC3CCCCO3

DOS

IR

Vibrations