Geometry & MOs

Info

ID:	235836
PubChem CID:	92710771
Reduced:	SO2N6C25H36 (1)
Stoich.:	AB2C6D25E36 (1)
Weight, g/mol:	400.168145
ΔH_f, kcal/mol:	-43.08
Dipole, Da:	4.41
IP(EA), eV:	-8.47(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[5-(2-oxopiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)N(CCCNC(=O)[C@H]1CCCN(C1)C2=NN=C(S2)N3CCCC3=O)CC4=CC=CC=C4

DOS

IR

Vibrations