Geometry & MOs

Info

ID:	358036
PubChem CID:	127295581
Reduced:	ClSN2O3C19H27 (1)
Stoich.:	ABC2D3E19F27 (1)
Weight, g/mol:	370.229014
ΔH_f, kcal/mol:	-132.72
Dipole, Da:	6.0
IP(EA), eV:	-9.5(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclohexylmethylsulfonyl)-1,4-diazepan-1-yl]-2-cyclopentylethanone

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)S(=O)(=O)CC3=CC=CC=C3Cl

DOS

IR

Vibrations