Geometry & MOs

Info

ID:	125266
PubChem CID:	50917765
Reduced:	NSO2H17C21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	433.05565
ΔH_f, kcal/mol:	-3.97
Dipole, Da:	5.57
IP(EA), eV:	-8.97(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-(2-bromopyridin-3-yl)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)COC2=C(C(=O)NC3=CC=CC=C32)C4=CC=CS4

DOS

IR

Vibrations