Geometry & MOs

Info

ID:	178062
PubChem CID:	76271023
Reduced:	ClN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	441.172228
ΔH_f, kcal/mol:	-29.51
Dipole, Da:	3.24
IP(EA), eV:	-9.05(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

C1C(C(NN1)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC(=C3)COCC4=CC=CO4

DOS

IR

Vibrations