Geometry & MOs

Info

ID:	155121
PubChem CID:	56320721
Reduced:	N3O8C20H23 (1)
Stoich.:	A3B8C20D23 (1)
Weight, g/mol:	415.153206
ΔH_f, kcal/mol:	-197.34
Dipole, Da:	8.04
IP(EA), eV:	-9.42(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3-hydroxybenzoyl)amino]propyl]-3-phenyl-2,1-benzoxazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C(=C(C(=C1)C(=O)NCCCNC(=O)C2=CC(=CC=C2)O)[N+](=O)[O-])OC)OC

DOS

IR

Vibrations