Geometry & MOs

Info

ID:	358035
PubChem CID:	127295580
Reduced:	SN2O4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	398.143092
ΔH_f, kcal/mol:	-155.09
Dipole, Da:	6.14
IP(EA), eV:	-9.51(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)S(=O)(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations