Geometry & MOs

Info

ID:	357296
PubChem CID:	127293929
Reduced:	OSN5C20H27 (1)
Stoich.:	ABC5D20E27 (1)
Weight, g/mol:	342.151433
ΔH_f, kcal/mol:	11.09
Dipole, Da:	5.96
IP(EA), eV:	-9.17(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(1-phenylpropyl)-1,3,4-thiadiazol-2-yl]-2-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C2=NN=C(S2)NC(=O)N3CCN4CCCCC4C3

DOS

IR

Vibrations