Geometry & MOs

Info

ID:	61406
PubChem CID:	26708980
Reduced:	ClON4H21C25 (1)
Stoich.:	ABC4D21E25 (1)
Weight, g/mol:	423.080826
ΔH_f, kcal/mol:	95.68
Dipole, Da:	5.04
IP(EA), eV:	-9.33(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(N=N2)/C=C/C(=O)N[C@@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations