Geometry & MOs

Info

ID:	155112
PubChem CID:	56320703
Reduced:	N3O4C24H25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	442.140783
ΔH_f, kcal/mol:	-102.24
Dipole, Da:	2.26
IP(EA), eV:	-8.14(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]propyl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC2=CC=CC=C2C(=O)NCCCNC(=O)C3=CC(=CC=C3)O

DOS

IR

Vibrations