Geometry & MOs

Info

ID:	177227
PubChem CID:	76148423
Reduced:	ClNSO4C19H20 (1)
Stoich.:	ABCD4E19F20 (1)
Weight, g/mol:	369.03981
ΔH_f, kcal/mol:	-124.98
Dipole, Da:	6.51
IP(EA), eV:	-9.16(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-5-methoxyphenyl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)N2CCC(CC2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations