Geometry & MOs

Info

ID:	344957
PubChem CID:	127268717
Reduced:	NSO3C14H25 (1)
Stoich.:	ABC3D14E25 (1)
Weight, g/mol:	397.97583
ΔH_f, kcal/mol:	-158.55
Dipole, Da:	3.72
IP(EA), eV:	-9.62(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-azabicyclo[2.2.1]heptan-2-ylsulfonyl)-2-(4-bromophenyl)-1,3-thiazole

Drug info:

PubChemData

Smile

C1CCC(C1)C2CCCN2S(=O)(=O)CC3CCCO3

DOS

IR

Vibrations