Geometry & MOs

Info

ID:	420200
PubChem CID:	135111798
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	282.151433
ΔH_f, kcal/mol:	-99.61
Dipole, Da:	3.86
IP(EA), eV:	-8.41(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-9-methyl-7-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-oxa-7,9-diazabicyclo[3.3.2]decane

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)N1CCC2(CC1)C3=C(CCO2)C4=CC=CC=C4N3

DOS

IR

Vibrations