Geometry & MOs

Info

ID:	140873
PubChem CID:	52775325
Reduced:	N3O5C26H27 (1)
Stoich.:	A3B5C26D27 (1)
Weight, g/mol:	462.133732
ΔH_f, kcal/mol:	-143.53
Dipole, Da:	3.48
IP(EA), eV:	-9.21(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclopropylthiophen-2-yl)-[4-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](CC(=O)OC)NC(=O)C2=CC(=CC=C2)N3C(=O)[C@H]4CC=CC[C@@H]4C(=O)N3

DOS

IR

Vibrations