Geometry & MOs

Info

ID:	357691
PubChem CID:	127294365
Reduced:	O2S2N3C19H25 (1)
Stoich.:	A2B2C3D19E25 (1)
Weight, g/mol:	320.06532
ΔH_f, kcal/mol:	-32.43
Dipole, Da:	4.52
IP(EA), eV:	-8.51(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(CC2)S(=O)(=O)C3=CSC(=N3)C4=CC=CC=C4

DOS

IR

Vibrations