Geometry & MOs

Info

ID:	27606
PubChem CID:	822516
Reduced:	O2N3H15C18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	273.059028
ΔH_f, kcal/mol:	15.24
Dipole, Da:	5.64
IP(EA), eV:	-8.9(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)sulfonylazepane

Drug info:

PubChemData

Smile

CC1=NN2[C@H](C1)C3=CC=CC=C3O[C@]24C5=CC=CC=C5NC4=O

DOS

IR

Vibrations