Geometry & MOs

Info

ID:	139313
PubChem CID:	52508375
Reduced:	SN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	-66.58
Dipole, Da:	3.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764585
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1C[NH+](CCC1CO)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations