Geometry & MOs

Info

ID:	305369
PubChem CID:	124772316
Reduced:	OSN3C22H31 (1)
Stoich.:	ABC3D22E31 (1)
Weight, g/mol:	373.193632
ΔH_f, kcal/mol:	-45.72
Dipole, Da:	3.41
IP(EA), eV:	-8.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(3S)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]methanone

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@H]([C@@H]1C)NC(=O)C2=CC3=C(C=C2)N=C(S3)N4CCC(CC4)C

DOS

IR

Vibrations