Geometry & MOs

Info

ID:	38831
PubChem CID:	8138008
Reduced:	N3O4C24H27 (1)
Stoich.:	A3B4C24D27 (1)
Weight, g/mol:	421.200156
ΔH_f, kcal/mol:	-100.67
Dipole, Da:	6.72
IP(EA), eV:	-9.47(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)[C@@H](C)OC(=O)CNC(=O)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations