Geometry & MOs

Info

ID:	142891
PubChem CID:	53110004
Reduced:	N3O4C23H23 (1)
Stoich.:	A3B4C23D23 (1)
Weight, g/mol:	471.07937
ΔH_f, kcal/mol:	-56.71
Dipole, Da:	6.06
IP(EA), eV:	-8.6(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[(4-bromobenzoyl)amino]phenoxy]methyl]-N-butyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=NOC(=C2)COC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations