Geometry & MOs

Info

ID:	181728
PubChem CID:	76784025
Reduced:	SN2O3H22C26 (1)
Stoich.:	AB2C3D22E26 (1)
Weight, g/mol:	469.251147
ΔH_f, kcal/mol:	33.05
Dipole, Da:	5.1
IP(EA), eV:	-9.31(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-[5-(4-piperidin-1-ylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC(=CS1)C(=NOC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations