Geometry & MOs

Info

ID:	357294
PubChem CID:	127293927
Reduced:	OSN5C21H29 (1)
Stoich.:	ABC5D21E29 (1)
Weight, g/mol:	399.209282
ΔH_f, kcal/mol:	6.1
Dipole, Da:	6.28
IP(EA), eV:	-9.07(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)C2=NN=C(S2)NC(=O)N3CCCC3CN4CCCC4

DOS

IR

Vibrations