Geometry & MOs

Info

ID:	156974
PubChem CID:	56404210
Reduced:	BrN2O3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	415.145344
ΔH_f, kcal/mol:	-96.81
Dipole, Da:	4.49
IP(EA), eV:	-8.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(benzenesulfonylmethyl)phenyl]-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)N3CCC(CC3)C4OCCO4

DOS

IR

Vibrations