Geometry & MOs

Info

ID:	33278
PubChem CID:	7885797
Reduced:	SO2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	409.163771
ΔH_f, kcal/mol:	-28.28
Dipole, Da:	4.81
IP(EA), eV:	-8.51(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[(4-butoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC(C)N(C1=CC=CC=C1)C(=O)CN2C=NC3=C(C2=O)C4=C(S3)CCC4

DOS

IR

Vibrations