Geometry & MOs

Info

ID:	344850
PubChem CID:	127268610
Reduced:	SN3O4C16H29 (1)
Stoich.:	AB3C4D16E29 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	-188.77
Dipole, Da:	5.02
IP(EA), eV:	-8.82(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-1,4-diazepan-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)CC3CCCO3

DOS

IR

Vibrations