Geometry & MOs

Info

ID:	155137
PubChem CID:	56320741
Reduced:	SN2O2C11H13 (2)
Stoich.:	AB2C2D11E13 (2)
Weight, g/mol:	490.14749
ΔH_f, kcal/mol:	-138.04
Dipole, Da:	1.92
IP(EA), eV:	-8.81(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]phenyl]methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NCCCNC(=O)C3=CC(=CC=C3)O)C

DOS

IR

Vibrations