Geometry & MOs

Info

ID:	357291
PubChem CID:	127293924
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	399.209282
ΔH_f, kcal/mol:	-17.25
Dipole, Da:	6.13
IP(EA), eV:	-8.94(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=C2C(=CC=C1)SC(=N2)NC(=O)N3CCCC4=CC=CC=C4C3

DOS

IR

Vibrations