Geometry & MOs

Info

ID:	358087
PubChem CID:	127295632
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-41.37
Dipole, Da:	6.01
IP(EA), eV:	-8.29(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-pyrrolidin-1-ylazepan-1-yl)sulfonylphenyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=CC=C2)S(=O)(=O)N3CCCCC(C3)N4CCCC4)N=C1

DOS

IR

Vibrations