Geometry & MOs

Info

ID:	190119
PubChem CID:	77957066
Reduced:	ClSN3O4C27H32 (1)
Stoich.:	ABC3D4E27F32 (1)
Weight, g/mol:	480.314064
ΔH_f, kcal/mol:	-128.74
Dipole, Da:	1.53
IP(EA), eV:	-8.59(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-(3-cyclohexa-2,4-dien-1-yl-8-azabicyclo[3.2.1]octan-8-yl)ethyl]-4-phenylpiperidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2Cl)C(=O)C(C(C(=O)NCC3=CC(CS3)CCC4=CC=CC=C4)O)O

DOS

IR

Vibrations