Geometry & MOs

Info

ID:	69210
PubChem CID:	46530459
Reduced:	BrNO3C24H32 (1)
Stoich.:	ABC3D24E32 (1)
Weight, g/mol:	469.203528
ΔH_f, kcal/mol:	-142.41
Dipole, Da:	7.68
IP(EA), eV:	-8.59(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-N-[(1-phenylcyclobutyl)methyl]butanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CCCN2C(=O)CC34CC5CC(C3)CC(C5)(C4)Br)OC

DOS

IR

Vibrations