Geometry & MOs

Info

ID:	155208
PubChem CID:	56322654
Reduced:	O3N5C25H25 (1)
Stoich.:	A3B5C25D25 (1)
Weight, g/mol:	427.129884
ΔH_f, kcal/mol:	-25.91
Dipole, Da:	6.28
IP(EA), eV:	-9.07(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]propyl]-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)NCCCNC(=O)C4=CC(=CC=C4)O)C

DOS

IR

Vibrations