Geometry & MOs

Info

ID:	359122
PubChem CID:	127297382
Reduced:	SN2O2C12H22 (1)
Stoich.:	AB2C2D12E22 (1)
Weight, g/mol:	378.161329
ΔH_f, kcal/mol:	-85.81
Dipole, Da:	4.92
IP(EA), eV:	-8.46(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclohex-2-en-1-yl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1,4-diazepane

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCN(CC1)C2CCCC=C2

DOS

IR

Vibrations