Geometry & MOs

Info

ID:	345693
PubChem CID:	127269993
Reduced:	SO3N4C18H22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	357.124405
ΔH_f, kcal/mol:	-52.2
Dipole, Da:	4.87
IP(EA), eV:	-8.81(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-imidazol-1-ylphenyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C2=CC=NN2C1)C(=O)C3=CC=CC(=C3)CN4CCS(=O)(=O)CC4

DOS

IR

Vibrations