Geometry & MOs

Info

ID:	235847
PubChem CID:	92710839
Reduced:	O2S2N5C18H23 (1)
Stoich.:	A2B2C5D18E23 (1)
Weight, g/mol:	395.199111
ΔH_f, kcal/mol:	-29.85
Dipole, Da:	7.61
IP(EA), eV:	-8.32(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C(=O)C1)C2=NN=C(S2)N3CCC[C@@H](C3)C(=O)NCC4=CC=CS4

DOS

IR

Vibrations