Geometry & MOs

Info

ID:	221269
PubChem CID:	85267075
Reduced:	O2N7C18H27 (1)
Stoich.:	A2B7C18D27 (1)
Weight, g/mol:	369.079254
ΔH_f, kcal/mol:	-11.89
Dipole, Da:	4.43
IP(EA), eV:	-8.24(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-azabicyclo[3.2.1]octan-6-yl)-4-(4,4,4-trifluorobutylsulfonyl)-1,2,5-thiadiazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=C(C=C1)NC2C(C(NN2)N=CN(C)C)C#N

DOS

IR

Vibrations